[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol

C14H11Cl2FO2 — CID 114850107

IUPAC[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
SMILESOCc1ccc(OCc2ccc(Cl)cc2F)c(Cl)c1
InChIInChI=1S/C14H11Cl2FO2/c15-11-3-2-10(13(17)6-11)8-19-14-4-1-9(7-18)5-12(14)16/h1-6,18H,7-8H2
InChIKeyQWNCTQMNWJNMAH-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.20
Rot. Bonds4

About [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol

[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol (PubChem CID 114850107) has the molecular formula C14H11Cl2FO2 and a molecular weight of 301.14 g/mol. Its IUPAC name is [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
PubChem CID114850107
Molecular FormulaC14H11Cl2FO2
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
SMILESOCc1ccc(OCc2ccc(Cl)cc2F)c(Cl)c1
InChIInChI=1S/C14H11Cl2FO2/c15-11-3-2-10(13(17)6-11)8-19-14-4-1-9(7-18)5-12(14)16/h1-6,18H,7-8H2
InChIKeyQWNCTQMNWJNMAH-UHFFFAOYSA-N
XLogP4.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850115
[3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 114850111
3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 114847654
[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 102974846
1-[(4-bromo-2-fluorophenyl)methoxy]-4-(bromomethyl)-2-chlorobenzene
CID 63534537
[3-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]methanol
CID 114850200
[4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 103046919
1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene
CID 102877191
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
[3-[(2,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 62198124
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 107690673
1-[4-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686772

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol (CID 114850107) is [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol is OCc1ccc(OCc2ccc(Cl)cc2F)c(Cl)c1.
What is the InChIKey of [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol?
The InChIKey is QWNCTQMNWJNMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FO2/c15-11-3-2-10(13(17)6-11)8-19-14-4-1-9(7-18)5-12(14)16/h1-6,18H,7-8H2.
What are the key properties of [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol?
[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol has a molecular weight of 301.14 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 114850107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).