1-(3-chlorophenyl)-4-phenylbutan-1-ol

C16H17ClO — CID 55096467

IUPAC1-(3-chlorophenyl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClO/c17-15-10-5-9-14(12-15)16(18)11-4-8-13-6-2-1-3-7-13/h1-3,5-7,9-10,12,16,18H,4,8,11H2
InChIKeyCKMZQYVAEJRIBJ-UHFFFAOYSA-N
MW260.76 g/mol
LogP4.40
Rot. Bonds5

About 1-(3-chlorophenyl)-4-phenylbutan-1-ol

1-(3-chlorophenyl)-4-phenylbutan-1-ol (PubChem CID 55096467) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-phenylbutan-1-ol
PubChem CID55096467
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name1-(3-chlorophenyl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClO/c17-15-10-5-9-14(12-15)16(18)11-4-8-13-6-2-1-3-7-13/h1-3,5-7,9-10,12,16,18H,4,8,11H2
InChIKeyCKMZQYVAEJRIBJ-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol
CID 91535520
3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol
CID 141037796
3-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587
1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol
CID 79980245
1-amino-2-(3-chlorophenyl)-5-phenylpentan-3-ol
CID 65186430
2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 14368692
1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
CID 3809523
1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol
CID 65148452
1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol
CID 105111101
1-(3-chlorophenyl)-3-[3-(dimethylamino)phenyl]propan-1-ol
CID 70524074
1-(3,5-dibromophenyl)-4-phenylbutan-1-ol
CID 107978286
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-4-phenylbutan-1-ol (CID 55096467) is 1-(3-chlorophenyl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-4-phenylbutan-1-ol is OC(CCCc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-phenylbutan-1-ol?
The InChIKey is CKMZQYVAEJRIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO/c17-15-10-5-9-14(12-15)16(18)11-4-8-13-6-2-1-3-7-13/h1-3,5-7,9-10,12,16,18H,4,8,11H2.
What are the key properties of 1-(3-chlorophenyl)-4-phenylbutan-1-ol?
1-(3-chlorophenyl)-4-phenylbutan-1-ol has a molecular weight of 260.76 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-phenylbutan-1-ol is sourced from PubChem (CID 55096467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).