1,1-Bis(4-methoxyphenyl)-2-propyn-1-ol - CAS 101597-25-5

Catalog:	BB000563
Product Name:	1,1-Bis(4-methoxyphenyl)-2-propyn-1-ol
CAS:	101597-25-5
Synonyms:	1,1-bis(4-methoxyphenyl)-2-propyn-1-ol; 1,1-bis(4-methoxyphenyl)prop-2-yn-1-ol

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Computed Properties

IUPAC Name:	1,1-bis(4-methoxyphenyl)prop-2-yn-1-ol
Description:	1,1-Bis(4-methoxyphenyl)-2-propyn-1-ol (CAS# 101597-25-5) is used in the synthetic preparation of photochromic pyranobenzopyran derivatives.
Molecular Weight:	268.31
Molecular Formula:	C17H16O3
Canonical SMILES:	COC1=CC=C(C=C1)C(C#C)(C2=CC=C(C=C2)OC)O
InChI:	InChI=1S/C17H16O3/c1-4-17(18,13-5-9-15(19-2)10-6-13)14-7-11-16(20-3)12-8-14/h1,5-12,18H,2-3H3
InChI Key:	RFNDMLXNYMQMGN-UHFFFAOYSA-N
LogP:	2.57290

Publication Number	Title	Priority Date
JP-2020105104-A	Photochromic compound	20181227
WO-2020126032-A1	Indolonaphthopyrans	20181221
CN-113227098-A	Indol naphthopyrans	20181221
US-2021317129-A1	Indolenaphthopyrans	20181221
CN-107903889-B	Photochromic nano composite microsphere and application thereof	20171110

PMID	Publication Date	Title	Journal
21754239	20110401	Methyl 9-diethyl-amino-2,2-bis-(4-meth-oxy-phen-yl)-2H-benzo[h]chromene-5-carboxyl-ate	Acta crystallographica. Section E, Structure reports online

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Complexity:	317
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	268.109944368
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	268.109944368
Rotatable Bond Count:	5
Topological Polar Surface Area:	38.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8