(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol

C14H12ClFO2 — CID 61100698

IUPAC(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C14H12ClFO2/c1-18-13-7-4-10(8-12(13)15)14(17)9-2-5-11(16)6-3-9/h2-8,14,17H,1H3
InChIKeyPPSJVVKONKOELO-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.57
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol

(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol (PubChem CID 61100698) has the molecular formula C14H12ClFO2 and a molecular weight of 266.70 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
PubChem CID61100698
Molecular FormulaC14H12ClFO2
Molecular Weight266.70 g/mol
Exact Mass266.05
IUPAC Name(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C14H12ClFO2/c1-18-13-7-4-10(8-12(13)15)14(17)9-2-5-11(16)6-3-9/h2-8,14,17H,1H3
InChIKeyPPSJVVKONKOELO-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methoxyphenyl)-(3,5-difluorophenyl)methanol
CID 61100009
(3-chloro-4-methoxyphenyl)-(3-fluorophenyl)methanol
CID 61101567
(2-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 61099671
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 61099841
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 82772510
(3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 61099330
(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324307
(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284055
(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61101565
(2-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61081471
(3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63743010

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol (CID 61100698) is (3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol is COc1ccc(C(O)c2ccc(F)cc2)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol?
The InChIKey is PPSJVVKONKOELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO2/c1-18-13-7-4-10(8-12(13)15)14(17)9-2-5-11(16)6-3-9/h2-8,14,17H,1H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol?
(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol has a molecular weight of 266.70 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 61100698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).