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

C16H17ClO — CID 60798023

IUPAC1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClO/c1-12-2-4-13(5-3-12)10-16(18)11-14-6-8-15(17)9-7-14/h2-9,16,18H,10-11H2,1H3
InChIKeyIJFSXIGPWINUGO-UHFFFAOYSA-N
MW260.76 g/mol
LogP3.79
Rot. Bonds4

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

1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol (PubChem CID 60798023) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
PubChem CID60798023
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClO/c1-12-2-4-13(5-3-12)10-16(18)11-14-6-8-15(17)9-7-14/h2-9,16,18H,10-11H2,1H3
InChIKeyIJFSXIGPWINUGO-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60798981
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol
CID 105077329
1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol
CID 63410107
1-(4-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60797629
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
1-(4-chlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62161181
1,4-bis(4-methylphenyl)butan-2-ol
CID 63016226
1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 102617916

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol (CID 60798023) is 1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol is Cc1ccc(CC(O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol?
The InChIKey is IJFSXIGPWINUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO/c1-12-2-4-13(5-3-12)10-16(18)11-14-6-8-15(17)9-7-14/h2-9,16,18H,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol?
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol has a molecular weight of 260.76 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 60798023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).