1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol

C16H17ClO — CID 114979043

IUPAC1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
SMILESCc1ccc(C(O)CCc2ccccc2)cc1Cl
InChIInChI=1S/C16H17ClO/c1-12-7-9-14(11-15(12)17)16(18)10-8-13-5-3-2-4-6-13/h2-7,9,11,16,18H,8,10H2,1H3
InChIKeyKSRMZMGZPRVGSX-UHFFFAOYSA-N
MW260.76 g/mol
LogP4.31
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol

1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol (PubChem CID 114979043) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
PubChem CID114979043
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
SMILESCc1ccc(C(O)CCc2ccccc2)cc1Cl
InChIInChI=1S/C16H17ClO/c1-12-7-9-14(11-15(12)17)16(18)10-8-13-5-3-2-4-6-13/h2-7,9,11,16,18H,8,10H2,1H3
InChIKeyKSRMZMGZPRVGSX-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

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 107562190
1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol
CID 65148452
1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 62608212
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
CID 106817793
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105091644
1-(3-chloro-4-methylphenyl)-2-phenylethanamine
CID 55162176
1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 107562206
1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 55162570
1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol
CID 105111101
2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol
CID 63519474
1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol
CID 172550907

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol (CID 114979043) is 1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol is Cc1ccc(C(O)CCc2ccccc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol?
The InChIKey is KSRMZMGZPRVGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO/c1-12-7-9-14(11-15(12)17)16(18)10-8-13-5-3-2-4-6-13/h2-7,9,11,16,18H,8,10H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol?
1-(3-chloro-4-methylphenyl)-3-phenylpropan-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-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 114979043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).