1-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenylpropan-2-ol

C16H16Cl2O3S — CID 4616103

IUPAC1-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenylpropan-2-ol
SMILESCC(O)(CS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2O3S/c1-16(19,13-5-3-2-4-6-13)11-22(20,21)10-12-7-8-14(17)9-15(12)18/h2-9,19H,10-11H2,1H3
InChIKeyKNXRWLAXFFIMEJ-UHFFFAOYSA-N
MW359.27 g/mol
LogP3.82
Rot. Bonds5

About 1-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenylpropan-2-ol

1-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenylpropan-2-ol (PubChem CID 4616103) has the molecular formula C16H16Cl2O3S and a molecular weight of 359.27 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenylpropan-2-ol
PubChem CID4616103
Molecular FormulaC16H16Cl2O3S
Molecular Weight359.27 g/mol
Exact Mass358.02
IUPAC Name1-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenylpropan-2-ol
SMILESCC(O)(CS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2O3S/c1-16(19,13-5-3-2-4-6-13)11-22(20,21)10-12-7-8-14(17)9-15(12)18/h2-9,19H,10-11H2,1H3
InChIKeyKNXRWLAXFFIMEJ-UHFFFAOYSA-N
XLogP3.82
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-3-methyl-3-phenylbutan-2-one
CID 63409988
2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol
CID 82181727
1-(2,4-dichlorophenoxy)-2-phenylpropan-2-ol
CID 62373347
(2S)-3-[(2,4-dichlorophenyl)methylsulfonyl]propane-1,2-diol
CID 95973022
1-(2,4-dichlorophenyl)-2-phenylpropan-2-amine
CID 62621984
(2R)-3-benzylsulfonyl-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide
CID 1476456
2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 111335243
2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol
CID 3704416
1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62373504
methyl 2-[(2,4-dichlorophenyl)methylsulfonyloxy]-2-methylpropanoate
CID 22592997
6-[(2,4-dichlorophenyl)methylsulfonyl]-6-ethylcyclohexa-2,4-diene-1-carboxylic acid
CID 70108899
3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 133225084

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenylpropan-2-ol?
The IUPAC name of 1-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenylpropan-2-ol (CID 4616103) is 1-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenylpropan-2-ol is CC(O)(CS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenylpropan-2-ol?
The InChIKey is KNXRWLAXFFIMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O3S/c1-16(19,13-5-3-2-4-6-13)11-22(20,21)10-12-7-8-14(17)9-15(12)18/h2-9,19H,10-11H2,1H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenylpropan-2-ol?
1-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenylpropan-2-ol has a molecular weight of 359.27 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenylpropan-2-ol is sourced from PubChem (CID 4616103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).