(4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone

C18H19FO2 — CID 142346574

IUPAC(4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone
SMILESCCC(O)Cc1ccc(C(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C18H19FO2/c1-3-16(20)11-13-4-9-17(12(2)10-13)18(21)14-5-7-15(19)8-6-14/h4-10,16,20H,3,11H2,1-2H3
InChIKeyGEHPVHCLRSYARR-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.68
Rot. Bonds5

About (4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone

(4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone (PubChem CID 142346574) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone
PubChem CID142346574
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name(4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone
SMILESCCC(O)Cc1ccc(C(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C18H19FO2/c1-3-16(20)11-13-4-9-17(12(2)10-13)18(21)14-5-7-15(19)8-6-14/h4-10,16,20H,3,11H2,1-2H3
InChIKeyGEHPVHCLRSYARR-UHFFFAOYSA-N
XLogP3.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone (CID 142346574) is (4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone is CCC(O)Cc1ccc(C(=O)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of (4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone?
The InChIKey is GEHPVHCLRSYARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-3-16(20)11-13-4-9-17(12(2)10-13)18(21)14-5-7-15(19)8-6-14/h4-10,16,20H,3,11H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone?
(4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone has a molecular weight of 286.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone is sourced from PubChem (CID 142346574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).