(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol

C15H13ClF2O2 — CID 115829313

IUPAC(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol
SMILESCOc1cc(Cl)ccc1C(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H13ClF2O2/c1-8-3-6-11(17)13(14(8)18)15(19)10-5-4-9(16)7-12(10)20-2/h3-7,15,19H,1-2H3
InChIKeyVNLWUAVOAUGNMQ-UHFFFAOYSA-N
MW298.72 g/mol
LogP4.02
Rot. Bonds3

About (4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol

(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol (PubChem CID 115829313) has the molecular formula C15H13ClF2O2 and a molecular weight of 298.72 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol
PubChem CID115829313
Molecular FormulaC15H13ClF2O2
Molecular Weight298.72 g/mol
Exact Mass298.06
IUPAC Name(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol
SMILESCOc1cc(Cl)ccc1C(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H13ClF2O2/c1-8-3-6-11(17)13(14(8)18)15(19)10-5-4-9(16)7-12(10)20-2/h3-7,15,19H,1-2H3
InChIKeyVNLWUAVOAUGNMQ-UHFFFAOYSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 63426444
(2,4-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82816626
(4-chloro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 107560197
(4-chloro-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823109
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 82816107
(4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679789
(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791592
(5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879586
1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513966
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
(4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 115821652
(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 115793883

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol?
The IUPAC name of (4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol (CID 115829313) is (4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol is COc1cc(Cl)ccc1C(O)c1c(F)ccc(C)c1F.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol?
The InChIKey is VNLWUAVOAUGNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O2/c1-8-3-6-11(17)13(14(8)18)15(19)10-5-4-9(16)7-12(10)20-2/h3-7,15,19H,1-2H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol?
(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol has a molecular weight of 298.72 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol is sourced from PubChem (CID 115829313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).