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

C16H17ClO — CID 60799213

IUPAC2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol
SMILESCc1cccc(CC(C)(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClO/c1-12-4-3-5-13(10-12)11-16(2,18)14-6-8-15(17)9-7-14/h3-10,18H,11H2,1-2H3
InChIKeyYAYBTSZWJHZTAT-UHFFFAOYSA-N
MW260.76 g/mol
LogP4.10
Rot. Bonds3

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

2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol (PubChem CID 60799213) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol
PubChem CID60799213
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol
SMILESCc1cccc(CC(C)(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClO/c1-12-4-3-5-13(10-12)11-16(2,18)14-6-8-15(17)9-7-14/h3-10,18H,11H2,1-2H3
InChIKeyYAYBTSZWJHZTAT-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(3-methylphenyl)propan-2-ol
CID 60798209
2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79450583
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145380
4-[1-(3-chlorophenyl)-2-hydroxypropan-2-yl]benzonitrile
CID 115481532
1-(4-chlorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 60798764
2,3-dimethyl-1-(3-methylphenyl)butan-2-ol
CID 60798225
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol
CID 82919978
2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001727
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291494
2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol
CID 104735632
2-(4-chlorophenyl)pentan-2-ol
CID 23555553
2-chloro-2-methyl-3-(3-methylphenyl)propanoic acid
CID 83639747

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol (CID 60799213) is 2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol is Cc1cccc(CC(C)(O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol?
The InChIKey is YAYBTSZWJHZTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO/c1-12-4-3-5-13(10-12)11-16(2,18)14-6-8-15(17)9-7-14/h3-10,18H,11H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol?
2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol has a molecular weight of 260.76 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol is sourced from PubChem (CID 60799213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).