(2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol

C14H10ClF3O2 — CID 61099448

IUPAC(2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
SMILESCOc1cc(F)c(C(O)c2c(F)cccc2Cl)c(F)c1
InChIInChI=1S/C14H10ClF3O2/c1-20-7-5-10(17)13(11(18)6-7)14(19)12-8(15)3-2-4-9(12)16/h2-6,14,19H,1H3
InChIKeyVRXTYBUDPAYELQ-UHFFFAOYSA-N
MW302.68 g/mol
LogP3.85
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol

(2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol (PubChem CID 61099448) has the molecular formula C14H10ClF3O2 and a molecular weight of 302.68 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
PubChem CID61099448
Molecular FormulaC14H10ClF3O2
Molecular Weight302.68 g/mol
Exact Mass302.03
IUPAC Name(2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
SMILESCOc1cc(F)c(C(O)c2c(F)cccc2Cl)c(F)c1
InChIInChI=1S/C14H10ClF3O2/c1-20-7-5-10(17)13(11(18)6-7)14(19)12-8(15)3-2-4-9(12)16/h2-6,14,19H,1H3
InChIKeyVRXTYBUDPAYELQ-UHFFFAOYSA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61100473
(2-chloro-6-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879542
(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61082454
(2,6-difluorophenyl)-(3-methoxyphenyl)methanol
CID 63893352
(3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol
CID 61100995
(2,6-difluoro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61099270
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 61099841
(2-chloro-6-fluorophenyl)-(3-fluorophenyl)methanol
CID 63896004
(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methanol
CID 61271392
1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene
CID 63434136
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 54880557
1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60966548

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol?
The IUPAC name of (2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol (CID 61099448) is (2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol is COc1cc(F)c(C(O)c2c(F)cccc2Cl)c(F)c1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol?
The InChIKey is VRXTYBUDPAYELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2/c1-20-7-5-10(17)13(11(18)6-7)14(19)12-8(15)3-2-4-9(12)16/h2-6,14,19H,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol?
(2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol has a molecular weight of 302.68 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 61099448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).