(4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol

C17H16F2O — CID 82819234

IUPAC(4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
SMILESCc1ccc(F)c(C(O)c2ccc(C3CC3)cc2)c1F
InChIInChI=1S/C17H16F2O/c1-10-2-9-14(18)15(16(10)19)17(20)13-7-5-12(6-8-13)11-3-4-11/h2,5-9,11,17,20H,3-4H2,1H3
InChIKeyDCDRRKYKXCCLNT-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.23
Rot. Bonds3

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

(4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol (PubChem CID 82819234) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is (4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
PubChem CID82819234
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name(4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
SMILESCc1ccc(F)c(C(O)c2ccc(C3CC3)cc2)c1F
InChIInChI=1S/C17H16F2O/c1-10-2-9-14(18)15(16(10)19)17(20)13-7-5-12(6-8-13)11-3-4-11/h2,5-9,11,17,20H,3-4H2,1H3
InChIKeyDCDRRKYKXCCLNT-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(4-fluorophenyl)methanol
CID 82815798
(4-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128111
(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115839118
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 82816107
(2,6-difluoro-3-methylphenyl)-(2,6-difluorophenyl)methanol
CID 82820156
(2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 82799843
(4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 116505320
(3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128110
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115836236
(2,6-difluoro-3-methylphenyl)-(6-methoxy-3-pyridinyl)methanol
CID 114937941
(4-cyclopropylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432631
(2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 82802452

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol?
The IUPAC name of (4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol (CID 82819234) is (4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol.
What is the SMILES notation for (4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol?
The canonical SMILES for (4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol is Cc1ccc(F)c(C(O)c2ccc(C3CC3)cc2)c1F.
What is the InChIKey of (4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol?
The InChIKey is DCDRRKYKXCCLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c1-10-2-9-14(18)15(16(10)19)17(20)13-7-5-12(6-8-13)11-3-4-11/h2,5-9,11,17,20H,3-4H2,1H3.
What are the key properties of (4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol?
(4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol has a molecular weight of 274.31 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol is sourced from PubChem (CID 82819234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).