(2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol

C18H19FO — CID 114601272

IUPAC(2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccccc2C2CCC2)cc1F
InChIInChI=1S/C18H19FO/c1-12-9-10-14(11-17(12)19)18(20)16-8-3-2-7-15(16)13-5-4-6-13/h2-3,7-11,13,18,20H,4-6H2,1H3
InChIKeyPEYVYIRNKSFODR-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.48
Rot. Bonds3

About (2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol

(2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol (PubChem CID 114601272) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol
PubChem CID114601272
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name(2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccccc2C2CCC2)cc1F
InChIInChI=1S/C18H19FO/c1-12-9-10-14(11-17(12)19)18(20)16-8-3-2-7-15(16)13-5-4-6-13/h2-3,7-11,13,18,20H,4-6H2,1H3
InChIKeyPEYVYIRNKSFODR-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 114602710
(4-bromo-3-methylphenyl)-(2-cyclobutylphenyl)methanol
CID 114601521
(2-cyclopropylphenyl)-(3-fluorophenyl)methanol
CID 79982940
(4-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128111
(3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128110
(2-cyclopropylphenyl)-(4-propan-2-ylphenyl)methanol
CID 79983378
(2-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130732
(2-bromo-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114024297
(2-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 115838610
(3-fluoro-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 62789611
(4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114518560
(4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol
CID 79592562

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol?
The IUPAC name of (2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol (CID 114601272) is (2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol.
What is the SMILES notation for (2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol?
The canonical SMILES for (2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol is Cc1ccc(C(O)c2ccccc2C2CCC2)cc1F.
What is the InChIKey of (2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol?
The InChIKey is PEYVYIRNKSFODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO/c1-12-9-10-14(11-17(12)19)18(20)16-8-3-2-7-15(16)13-5-4-6-13/h2-3,7-11,13,18,20H,4-6H2,1H3.
What are the key properties of (2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol?
(2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol has a molecular weight of 270.35 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol is sourced from PubChem (CID 114601272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).