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

C17H16F2O — CID 107512296

IUPAC(3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cccc(C3CC3)c2)c(F)c1F
InChIInChI=1S/C17H16F2O/c1-10-5-8-14(16(19)15(10)18)17(20)13-4-2-3-12(9-13)11-6-7-11/h2-5,8-9,11,17,20H,6-7H2,1H3
InChIKeyNATUTUJNDPNIJF-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.23
Rot. Bonds3

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

(3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol (PubChem CID 107512296) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is (3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol
PubChem CID107512296
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name(3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cccc(C3CC3)c2)c(F)c1F
InChIInChI=1S/C17H16F2O/c1-10-5-8-14(16(19)15(10)18)17(20)13-4-2-3-12(9-13)11-6-7-11/h2-5,8-9,11,17,20H,6-7H2,1H3
InChIKeyNATUTUJNDPNIJF-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

(3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128110
(3-cyclopropylphenyl)-(2,4,5-trimethylphenyl)methanol
CID 79980572
(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114602208
(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115839118
(3-cyclobutylphenyl)-(2,4-dimethylphenyl)methanol
CID 114601241
(2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol
CID 107516253
(3-cyclopropylphenyl)-(3-methylthiophen-2-yl)methanol
CID 79991292
(3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 115838981
(3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114724253
(4-chlorophenyl)-(3-cyclopropylphenyl)methanol
CID 79979843
(2-fluoro-3-methylphenyl)-(3-fluorophenyl)methanol
CID 114978614
(4-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128111

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol?
The IUPAC name of (3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol (CID 107512296) is (3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol.
What is the SMILES notation for (3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol?
The canonical SMILES for (3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol is Cc1ccc(C(O)c2cccc(C3CC3)c2)c(F)c1F.
What is the InChIKey of (3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol?
The InChIKey is NATUTUJNDPNIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c1-10-5-8-14(16(19)15(10)18)17(20)13-4-2-3-12(9-13)11-6-7-11/h2-5,8-9,11,17,20H,6-7H2,1H3.
What are the key properties of (3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol?
(3-cyclopropylphenyl)-(2,3-difluoro-4-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 (3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol is sourced from PubChem (CID 107512296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).