(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol

C18H18F2O — CID 115839118

IUPAC(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
SMILESCc1ccc(F)c(C(O)c2cccc(C3CCC3)c2)c1F
InChIInChI=1S/C18H18F2O/c1-11-8-9-15(19)16(17(11)20)18(21)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-10,12,18,21H,2,4-5H2,1H3
InChIKeyRCNLGJUJNAQESS-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.62
Rot. Bonds3

About (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol

(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol (PubChem CID 115839118) has the molecular formula C18H18F2O and a molecular weight of 288.34 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
PubChem CID115839118
Molecular FormulaC18H18F2O
Molecular Weight288.34 g/mol
Exact Mass288.13
IUPAC Name(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
SMILESCc1ccc(F)c(C(O)c2cccc(C3CCC3)c2)c1F
InChIInChI=1S/C18H18F2O/c1-11-8-9-15(19)16(17(11)20)18(21)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-10,12,18,21H,2,4-5H2,1H3
InChIKeyRCNLGJUJNAQESS-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114602208
(3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128110
(4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82819234
(3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512296
(3-cyclobutylphenyl)-(2,4-dimethylphenyl)methanol
CID 114601241
(3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 114602448
(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 115839009
(2,6-difluoro-3-methylphenyl)-(2,6-difluorophenyl)methanol
CID 82820156
1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 114602227
(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 115814484
(3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 115838981
(3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol
CID 114602324

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol?
The IUPAC name of (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol (CID 115839118) is (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol.
What is the SMILES notation for (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol?
The canonical SMILES for (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol is Cc1ccc(F)c(C(O)c2cccc(C3CCC3)c2)c1F.
What is the InChIKey of (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol?
The InChIKey is RCNLGJUJNAQESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O/c1-11-8-9-15(19)16(17(11)20)18(21)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-10,12,18,21H,2,4-5H2,1H3.
What are the key properties of (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol?
(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol has a molecular weight of 288.34 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol is sourced from PubChem (CID 115839118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).