[3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol

C15H14ClFO3 — CID 107882229

IUPAC[3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1OCc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H14ClFO3/c1-19-14-5-3-10(8-18)7-15(14)20-9-11-2-4-12(16)13(17)6-11/h2-7,18H,8-9H2,1H3
InChIKeyYXWHGEQKRLQJKL-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.56
Rot. Bonds5

About [3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol

[3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol (PubChem CID 107882229) has the molecular formula C15H14ClFO3 and a molecular weight of 296.73 g/mol. Its IUPAC name is [3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol
PubChem CID107882229
Molecular FormulaC15H14ClFO3
Molecular Weight296.73 g/mol
Exact Mass296.06
IUPAC Name[3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1OCc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H14ClFO3/c1-19-14-5-3-10(8-18)7-15(14)20-9-11-2-4-12(16)13(17)6-11/h2-7,18H,8-9H2,1H3
InChIKeyYXWHGEQKRLQJKL-UHFFFAOYSA-N
XLogP3.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 107882261
[4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742775
[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 102974846
[3-[(2,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 62198124
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]boronic acid
CID 107882716
2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene
CID 82716215
[3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol
CID 106864284
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 107878670
[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157
(1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol
CID 107882473
[4-(4-chloro-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 82716427

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol?
The IUPAC name of [3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol (CID 107882229) is [3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol.
What is the SMILES notation for [3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol?
The canonical SMILES for [3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol is COc1ccc(CO)cc1OCc1ccc(Cl)c(F)c1.
What is the InChIKey of [3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol?
The InChIKey is YXWHGEQKRLQJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO3/c1-19-14-5-3-10(8-18)7-15(14)20-9-11-2-4-12(16)13(17)6-11/h2-7,18H,8-9H2,1H3.
What are the key properties of [3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol?
[3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol has a molecular weight of 296.73 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol is sourced from PubChem (CID 107882229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).