1-(4-fluoro-3-methylphenyl)pentan-3-ol

C12H17FO — CID 64515114

IUPAC1-(4-fluoro-3-methylphenyl)pentan-3-ol
SMILESCCC(O)CCc1ccc(F)c(C)c1
InChIInChI=1S/C12H17FO/c1-3-11(14)6-4-10-5-7-12(13)9(2)8-10/h5,7-8,11,14H,3-4,6H2,1-2H3
InChIKeyHGQPHLNFCUVGHO-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.84
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)pentan-3-ol

1-(4-fluoro-3-methylphenyl)pentan-3-ol (PubChem CID 64515114) has the molecular formula C12H17FO and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)pentan-3-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)pentan-3-ol
PubChem CID64515114
Molecular FormulaC12H17FO
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name1-(4-fluoro-3-methylphenyl)pentan-3-ol
SMILESCCC(O)CCc1ccc(F)c(C)c1
InChIInChI=1S/C12H17FO/c1-3-11(14)6-4-10-5-7-12(13)9(2)8-10/h5,7-8,11,14H,3-4,6H2,1-2H3
InChIKeyHGQPHLNFCUVGHO-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-fluoro-3-methylphenyl)pentan-3-ol 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-(4-fluoro-3-methylphenyl)butan-2-ol
CID 64516741
1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol
CID 64515839
1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol
CID 64514428
(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine
CID 90212776
1-[3,5-bis(3-hydroxypentyl)phenyl]pentan-3-ol
CID 22239510
4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol
CID 82398888
1-(4-iodophenyl)pentan-3-ol
CID 65476724
4-(3,4-dimethylphenyl)butane-1,2-diol
CID 83927957
5-[2-(4-fluoro-3-methylphenyl)ethyl]-6-propylnonan-4-one
CID 142120088
1-amino-4-(3,4-difluorophenyl)butan-2-ol
CID 82282345
3-(3-hydroxypentyl)phenol
CID 21193621
5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 79735912

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)pentan-3-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)pentan-3-ol (CID 64515114) is 1-(4-fluoro-3-methylphenyl)pentan-3-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)pentan-3-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)pentan-3-ol is CCC(O)CCc1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)pentan-3-ol?
The InChIKey is HGQPHLNFCUVGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-3-11(14)6-4-10-5-7-12(13)9(2)8-10/h5,7-8,11,14H,3-4,6H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)pentan-3-ol?
1-(4-fluoro-3-methylphenyl)pentan-3-ol has a molecular weight of 196.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)pentan-3-ol is sourced from PubChem (CID 64515114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).