1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol

C16H16Cl2O — CID 63012421

IUPAC1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
SMILESCC(O)(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2O/c1-16(19,10-12-5-3-2-4-6-12)11-13-7-8-14(17)15(18)9-13/h2-9,19H,10-11H2,1H3
InChIKeyAMBHUCYGLJBAHZ-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.53
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol

1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol (PubChem CID 63012421) has the molecular formula C16H16Cl2O and a molecular weight of 295.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
PubChem CID63012421
Molecular FormulaC16H16Cl2O
Molecular Weight295.21 g/mol
Exact Mass294.06
IUPAC Name1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
SMILESCC(O)(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2O/c1-16(19,10-12-5-3-2-4-6-12)11-13-7-8-14(17)15(18)9-13/h2-9,19H,10-11H2,1H3
InChIKeyAMBHUCYGLJBAHZ-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145288
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145380
3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal
CID 66039817
1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833346
4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol
CID 83075227
3-(3,4-dichlorophenyl)-2-methyl-2-phenylpropanenitrile
CID 82140043
3-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739590
2-methyl-1-(2-methylphenyl)-3-phenylpropan-2-ol
CID 114994895
3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid
CID 11822623
3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid
CID 142389018
2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149411
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol (CID 63012421) is 1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol is CC(O)(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol?
The InChIKey is AMBHUCYGLJBAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O/c1-16(19,10-12-5-3-2-4-6-12)11-13-7-8-14(17)15(18)9-13/h2-9,19H,10-11H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol?
1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol has a molecular weight of 295.21 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol is sourced from PubChem (CID 63012421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).