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

C16H17ClO2 — CID 61375521

IUPAC1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClO2/c1-19-16-8-4-13(5-9-16)11-15(18)10-12-2-6-14(17)7-3-12/h2-9,15,18H,10-11H2,1H3
InChIKeyKUPFQMBUHRLVIH-UHFFFAOYSA-N
MW276.76 g/mol
LogP3.49
Rot. Bonds5

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

1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol (PubChem CID 61375521) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
PubChem CID61375521
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClO2/c1-19-16-8-4-13(5-9-16)11-15(18)10-12-2-6-14(17)7-3-12/h2-9,15,18H,10-11H2,1H3
InChIKeyKUPFQMBUHRLVIH-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 62605970
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373626
(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
CID 101107331
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375136
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride
CID 67019748
1-(2-fluorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373072
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
(4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium
CID 2245111
1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol
CID 63410107

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol (CID 61375521) is 1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol is COc1ccc(CC(O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol?
The InChIKey is KUPFQMBUHRLVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-19-16-8-4-13(5-9-16)11-15(18)10-12-2-6-14(17)7-3-12/h2-9,15,18H,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol?
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol has a molecular weight of 276.76 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 61375521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).