Benzofuran-2-methanol - CAS 55038-01-2

Catalog:	BB028895
Product Name:	Benzofuran-2-methanol
CAS:	55038-01-2
Synonyms:	2-benzofuranylmethanol; 1-benzofuran-2-ylmethanol

Technical Data

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Computed Properties

IUPAC Name:	1-benzofuran-2-ylmethanol
Description:	Benzofuran-2-methanol (CAS# 55038-01-2) is a useful research chemical.
Molecular Weight:	148.16
Molecular Formula:	C9H8O2
Canonical SMILES:	C1=CC=C2C(=C1)C=C(O2)CO
InChI:	InChI=1S/C9H8O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,10H,6H2
InChI Key:	HSOMHPHYGAQRTF-UHFFFAOYSA-N
Boiling Point:	93 °C
Density:	1.233 g/cm³
MDL:	MFCD00673995
LogP:	1.92510

Publication Number	Title	Priority Date
WO-2021027721-A1	Immunomodulator	20190809
CN-111989311-A	Compound for inhibiting PGE2/EP4 signal transduction, preparation method thereof and application thereof in medicines	20190122
WO-2020151566-A1	Compound for inhibiting pge2/ep4 signaling transduction inhibiting, preparation method therefor, and medical uses thereof	20190122
TW-202041498-A	Compounds for inhibiting pge2/ep4 signaling, preparation method thereof and use in medicine	20190122
EP-3889134-A1	Compound for inhibiting pge2/ep4 signaling transduction inhibiting, preparation method therefor, and medical uses thereof	20190122

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Related Functional Groups

Benzofuran/Benzothiophene

[328270-02-6]
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[438228-39-8]
Ethyl 2-amino-6-tert-butyl-1-benzothiophene-3-carboxylate
[96334-44-0]
Ethyl 2-amino-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
[1934854-71-3]
N-Boc-7-aminobenzofuran
[2649788-75-8]
tert-butyl N-(4-bromo-3-cyano-benzothiophen-2-yl)carbamate
[16587-47-6]
6-Methylbenzo[b]thiophene

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.052429494
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	148.052429494
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5