2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol

C16H16Cl2O — CID 156884075

IUPAC2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(c1cccc(Cl)c1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2O/c1-16(2,12-4-3-5-14(18)10-12)15(19)11-6-8-13(17)9-7-11/h3-10,15,19H,1-2H3
InChIKeyIPPZCSKQGSCLNA-UHFFFAOYSA-N
MW295.21 g/mol
LogP5.00
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol

2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol (PubChem CID 156884075) has the molecular formula C16H16Cl2O and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol
PubChem CID156884075
Molecular FormulaC16H16Cl2O
Molecular Weight295.21 g/mol
Exact Mass294.06
IUPAC Name2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(c1cccc(Cl)c1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2O/c1-16(2,12-4-3-5-14(18)10-12)15(19)11-6-8-13(17)9-7-11/h3-10,15,19H,1-2H3
InChIKeyIPPZCSKQGSCLNA-UHFFFAOYSA-N
XLogP5.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.21
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-(3-fluorophenyl)-2-methylpropan-1-ol
CID 156883833
1-chloro-3-(2,3-dimethylbutan-2-yl)benzene
CID 118359606
(1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 58172166
1-chloro-3-(1,1-dibromoethyl)benzene
CID 15877621
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
[(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid
CID 90341642
1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
CID 110446838
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 10585384
3-(3-chlorophenyl)butan-2-ol
CID 66437186
1-tert-butyl-3-chlorobenzene;sulfuryl dichloride
CID 174401484
2-(3-chlorophenyl)but-3-yn-2-ol
CID 64915364

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol (CID 156884075) is 2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol is CC(C)(c1cccc(Cl)c1)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol?
The InChIKey is IPPZCSKQGSCLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O/c1-16(2,12-4-3-5-14(18)10-12)15(19)11-6-8-13(17)9-7-11/h3-10,15,19H,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol?
2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol has a molecular weight of 295.21 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 156884075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).