3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol

C16H16ClFO — CID 103041993

IUPAC3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CO)Cc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H16ClFO/c1-11-3-2-4-13(7-11)14(10-19)8-12-5-6-16(18)15(17)9-12/h2-7,9,14,19H,8,10H2,1H3
InChIKeyKFQRTBVYWLWBHY-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.11
Rot. Bonds4

About 3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol

3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol (PubChem CID 103041993) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
PubChem CID103041993
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CO)Cc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H16ClFO/c1-11-3-2-4-13(7-11)14(10-19)8-12-5-6-16(18)15(17)9-12/h2-7,9,14,19H,8,10H2,1H3
InChIKeyKFQRTBVYWLWBHY-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-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

3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 103041999
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103041983
2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene
CID 103042092
2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol
CID 79443229
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 103040965
3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 79417400
3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol
CID 105375965
3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422312
1-(3-chloro-4-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 103040177
3-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 79443459
2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol
CID 103041980
4-amino-2-(3-methylphenyl)butan-1-ol
CID 115015469

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol (CID 103041993) is 3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol is Cc1cccc(C(CO)Cc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol?
The InChIKey is KFQRTBVYWLWBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-11-3-2-4-13(7-11)14(10-19)8-12-5-6-16(18)15(17)9-12/h2-7,9,14,19H,8,10H2,1H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol?
3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol has a molecular weight of 278.75 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 103041993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).