(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol

C14H11ClF2O2 — CID 61100473

IUPAC(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
SMILESCOc1cc(F)c(C(O)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C14H11ClF2O2/c1-19-8-6-11(16)13(12(17)7-8)14(18)9-4-2-3-5-10(9)15/h2-7,14,18H,1H3
InChIKeyKTOWSNWMOCAZJY-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.71
Rot. Bonds3

About (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol

(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol (PubChem CID 61100473) has the molecular formula C14H11ClF2O2 and a molecular weight of 284.69 g/mol. Its IUPAC name is (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
PubChem CID61100473
Molecular FormulaC14H11ClF2O2
Molecular Weight284.69 g/mol
Exact Mass284.04
IUPAC Name(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
SMILESCOc1cc(F)c(C(O)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C14H11ClF2O2/c1-19-8-6-11(16)13(12(17)7-8)14(18)9-4-2-3-5-10(9)15/h2-7,14,18H,1H3
InChIKeyKTOWSNWMOCAZJY-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089370
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 54880557
(2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61099448
(2,6-difluoro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61099270
(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methanol
CID 61081100
1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60966548
2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene
CID 46896091
(2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895830
(3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 103404237
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089185
1-(2,5-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60966402
2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 61082122

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol?
The IUPAC name of (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol (CID 61100473) is (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol?
The canonical SMILES for (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol is COc1cc(F)c(C(O)c2ccccc2Cl)c(F)c1.
What is the InChIKey of (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol?
The InChIKey is KTOWSNWMOCAZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O2/c1-19-8-6-11(16)13(12(17)7-8)14(18)9-4-2-3-5-10(9)15/h2-7,14,18H,1H3.
What are the key properties of (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol?
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol has a molecular weight of 284.69 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 61100473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).