(4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol

C18H21FO — CID 63426051

IUPAC(4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol
SMILESCCC(C)c1ccc(C(O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C18H21FO/c1-4-12(2)14-5-7-15(8-6-14)18(20)16-9-10-17(19)13(3)11-16/h5-12,18,20H,4H2,1-3H3
InChIKeyJNINKTSNKAHAGJ-UHFFFAOYSA-N
MW272.36 g/mol
LogP4.73
Rot. Bonds4

About (4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol

(4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol (PubChem CID 63426051) has the molecular formula C18H21FO and a molecular weight of 272.36 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol
PubChem CID63426051
Molecular FormulaC18H21FO
Molecular Weight272.36 g/mol
Exact Mass272.16
IUPAC Name(4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol
SMILESCCC(C)c1ccc(C(O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C18H21FO/c1-4-12(2)14-5-7-15(8-6-14)18(20)16-9-10-17(19)13(3)11-16/h5-12,18,20H,4H2,1-3H3
InChIKeyJNINKTSNKAHAGJ-UHFFFAOYSA-N
XLogP4.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanol
CID 63426275
(4-butan-2-ylphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879198
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260153
(3,5-dichlorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63899311
4-(1-bromopropan-2-yl)-1-fluoro-2-methylbenzene
CID 82081986
(3,5-dibromophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 107978317
(4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324135
(4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol
CID 79746730
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
2-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82075115
1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106
4-(1-bromobutan-2-yl)-1-fluoro-2-methylbenzene
CID 82085666

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol?
The IUPAC name of (4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol (CID 63426051) is (4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for (4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol?
The canonical SMILES for (4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol is CCC(C)c1ccc(C(O)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol?
The InChIKey is JNINKTSNKAHAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO/c1-4-12(2)14-5-7-15(8-6-14)18(20)16-9-10-17(19)13(3)11-16/h5-12,18,20H,4H2,1-3H3.
What are the key properties of (4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol?
(4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol has a molecular weight of 272.36 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 63426051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).