1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol

C17H19ClO — CID 107562241

IUPAC1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol
SMILESCCC(c1ccccc1)C(O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H19ClO/c1-3-15(13-7-5-4-6-8-13)17(19)14-10-9-12(2)16(18)11-14/h4-11,15,17,19H,3H2,1-2H3
InChIKeyXXVZOGDCVJFCBM-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.88
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol

1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol (PubChem CID 107562241) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol
PubChem CID107562241
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol
SMILESCCC(c1ccccc1)C(O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H19ClO/c1-3-15(13-7-5-4-6-8-13)17(19)14-10-9-12(2)16(18)11-14/h4-11,15,17,19H,3H2,1-2H3
InChIKeyXXVZOGDCVJFCBM-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol
CID 55197519
1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-amine
CID 107561754
1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol
CID 61082848
1-(2-chlorophenyl)-2-phenylbutan-1-ol
CID 114980516
3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
CID 170827605
2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
CID 106817793
3-amino-1-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188783
1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
CID 114979043
(1S,2R)-1-amino-1-(3-chloro-4-methylphenyl)-3-methylpentan-2-ol
CID 171267982
3-amino-1-(4-bromo-3-chlorophenyl)-2-phenylpropan-1-ol
CID 81307524
(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol
CID 140978275
1-(4-butylphenyl)-2-phenylbutan-1-ol
CID 63427121

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol (CID 107562241) is 1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol is CCC(c1ccccc1)C(O)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol?
The InChIKey is XXVZOGDCVJFCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-3-15(13-7-5-4-6-8-13)17(19)14-10-9-12(2)16(18)11-14/h4-11,15,17,19H,3H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol?
1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol has a molecular weight of 274.79 g/mol, XLogP of 4.88, 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)-2-phenylbutan-1-ol is sourced from PubChem (CID 107562241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).