2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol

C17H19ClO — CID 79443229

IUPAC2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(CC(CO)c2cccc(Cl)c2)cc1C
InChIInChI=1S/C17H19ClO/c1-12-6-7-14(8-13(12)2)9-16(11-19)15-4-3-5-17(18)10-15/h3-8,10,16,19H,9,11H2,1-2H3
InChIKeyHCCFODIEAXWESU-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.28
Rot. Bonds4

About 2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol

2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol (PubChem CID 79443229) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol
PubChem CID79443229
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(CC(CO)c2cccc(Cl)c2)cc1C
InChIInChI=1S/C17H19ClO/c1-12-6-7-14(8-13(12)2)9-16(11-19)15-4-3-5-17(18)10-15/h3-8,10,16,19H,9,11H2,1-2H3
InChIKeyHCCFODIEAXWESU-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 103041999
4-[2-(3-chlorophenyl)-5-(4-ethylphenyl)sulfanylpentyl]-1,2-dimethylbenzene
CID 144683400
3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 103041993
1-[(8S)-8-(3-chlorophenyl)-9-(3,4-dimethylphenyl)nonyl]azetidine-3-carboxylic acid
CID 125489500
4-[5-(4-butylphenoxy)-2-(3-chlorophenyl)pentyl]-1,2-dimethylbenzene
CID 123635712
2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 79442808
1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol
CID 105081897
1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
CID 66146632
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
1-[3-bromo-2-(3-chlorophenyl)propyl]-4-propan-2-ylbenzene
CID 79432003
2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol
CID 79443372
(2S)-2-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528397

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol?
The IUPAC name of 2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol (CID 79443229) is 2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol is Cc1ccc(CC(CO)c2cccc(Cl)c2)cc1C.
What is the InChIKey of 2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol?
The InChIKey is HCCFODIEAXWESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-12-6-7-14(8-13(12)2)9-16(11-19)15-4-3-5-17(18)10-15/h3-8,10,16,19H,9,11H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol?
2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol has a molecular weight of 274.79 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 79443229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).