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 |
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 |
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 |
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