4-Isopropylsalicylaldehyde - CAS 536-32-3

Catalog:	BB028296
Product Name:	4-Isopropylsalicylaldehyde
CAS:	536-32-3
Synonyms:	2-hydroxy-4-propan-2-ylbenzaldehyde; 2-hydroxy-4-propan-2-ylbenzaldehyde

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Computed Properties

IUPAC Name:	2-hydroxy-4-propan-2-ylbenzaldehyde
Description:	4-Isopropylsalicylaldehyde (CAS# 536-32-3) is a potent partial tyrosinase inhibitor.
Molecular Weight:	164.20
Molecular Formula:	C10H12O2
Canonical SMILES:	CC(C)C1=CC(=C(C=C1)C=O)O
InChI:	InChI=1S/C10H12O2/c1-7(2)8-3-4-9(6-11)10(12)5-8/h3-7,12H,1-2H3
InChI Key:	NSLDZVUVKUIYNL-UHFFFAOYSA-N
Boiling Point:	265.45 °C at 760 mmHg
Density:	1.098 g/cm³
LogP:	2.32810

Publication Number	Title	Priority Date
WO-2021072198-A1	Oral complement factor d inhibitors	20191009
TW-202010742-A	Substituted benzofuran, benzopyrrole,benzothiophene, and structurally related complement inhibitors	20180406
US-2019345135-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406
WO-2019195720-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406
AU-2019247471-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406

PMID	Publication Date	Title	Journal
19582213	20090526	An updated review of tyrosinase inhibitors	International journal of molecular sciences
14741268	20040209	2-hydroxy-4-isopropylbenzaldehyde, a potent partial tyrosinase inhibitor	Bioorganic & medicinal chemistry letters
17061565	20010101	Trypanocidal activity of 4 isopropyl salicylaldehyde and 4-isopropyl salicylic acid on Trypanosoma cruzi	Revista latinoamericana de microbiologia

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Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.083729621
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.083729621
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7