[3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol

C17H18F2O2 — CID 103432669

IUPAC[3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol
SMILESCOc1c(C(O)c2cccc(C(F)F)c2)ccc(C)c1C
InChIInChI=1S/C17H18F2O2/c1-10-7-8-14(16(21-3)11(10)2)15(20)12-5-4-6-13(9-12)17(18)19/h4-9,15,17,20H,1-3H3
InChIKeyXTKVOJQSFDSTKF-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.33
Rot. Bonds4

About [3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol

[3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol (PubChem CID 103432669) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is [3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol
PubChem CID103432669
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name[3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol
SMILESCOc1c(C(O)c2cccc(C(F)F)c2)ccc(C)c1C
InChIInChI=1S/C17H18F2O2/c1-10-7-8-14(16(21-3)11(10)2)15(20)12-5-4-6-13(9-12)17(18)19/h4-9,15,17,20H,1-3H3
InChIKeyXTKVOJQSFDSTKF-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxy-3,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 103435788
(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103433209
(3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 107978788
(2,6-difluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432506
(2-fluoro-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103435754
[3-(difluoromethyl)phenyl]-(2,4-dimethylphenyl)methanol
CID 115527668
(3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432477
(3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432694
(2-methoxy-3,4-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol
CID 103432508
[3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol
CID 116809823
(4-cyclopropylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432631
(2-methoxy-3,4-dimethylphenyl)-(3-methyl-2-pyridinyl)methanol
CID 103433103

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol?
The IUPAC name of [3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol (CID 103432669) is [3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol.
What is the SMILES notation for [3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol?
The canonical SMILES for [3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol is COc1c(C(O)c2cccc(C(F)F)c2)ccc(C)c1C.
What is the InChIKey of [3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol?
The InChIKey is XTKVOJQSFDSTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-10-7-8-14(16(21-3)11(10)2)15(20)12-5-4-6-13(9-12)17(18)19/h4-9,15,17,20H,1-3H3.
What are the key properties of [3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol?
[3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol has a molecular weight of 292.33 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol is sourced from PubChem (CID 103432669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).