1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol

C16H17ClO — CID 105079773

IUPAC1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CCC(O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H17ClO/c1-12-6-8-13(9-7-12)10-11-16(18)14-4-2-3-5-15(14)17/h2-9,16,18H,10-11H2,1H3
InChIKeyHOEDZSAYKNYSCX-UHFFFAOYSA-N
MW260.76 g/mol
LogP4.31
Rot. Bonds4

About 1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol

1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol (PubChem CID 105079773) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol
PubChem CID105079773
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CCC(O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H17ClO/c1-12-6-8-13(9-7-12)10-11-16(18)14-4-2-3-5-15(14)17/h2-9,16,18H,10-11H2,1H3
InChIKeyHOEDZSAYKNYSCX-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chlorophenyl)-3-(4-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

1-(2-chlorophenyl)-4-phenylbutan-1-ol
CID 62607678
1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107103367
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
1-(2,3-dichlorophenyl)-2-(4-methylphenyl)ethanol
CID 62790994
1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 107562190
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105084361
1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 22483034
3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol
CID 102842310
1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol
CID 105119163
(R)-(2-chlorophenyl)-(4-methylphenyl)methanol
CID 7107251
1-(2-chlorophenyl)-4-methylsulfanylbutan-1-ol
CID 103090055
1-(2-chlorophenyl)-3-pyridin-2-ylpropan-1-ol
CID 105079856

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol (CID 105079773) is 1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol is Cc1ccc(CCC(O)c2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol?
The InChIKey is HOEDZSAYKNYSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO/c1-12-6-8-13(9-7-12)10-11-16(18)14-4-2-3-5-15(14)17/h2-9,16,18H,10-11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol?
1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol has a molecular weight of 260.76 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 105079773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).