2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol

C17H19ClO4S — CID 3704416

IUPAC2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol
SMILESCOc1ccc(CS(=O)(=O)CC(C)(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClO4S/c1-17(19,14-5-7-15(18)8-6-14)12-23(20,21)11-13-3-9-16(22-2)10-4-13/h3-10,19H,11-12H2,1-2H3
InChIKeyMQOSYSKVAGRKLG-UHFFFAOYSA-N
MW354.86 g/mol
LogP3.17
Rot. Bonds6

About 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol

2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol (PubChem CID 3704416) has the molecular formula C17H19ClO4S and a molecular weight of 354.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol
PubChem CID3704416
Molecular FormulaC17H19ClO4S
Molecular Weight354.86 g/mol
Exact Mass354.07
IUPAC Name2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol
SMILESCOc1ccc(CS(=O)(=O)CC(C)(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClO4S/c1-17(19,14-5-7-15(18)8-6-14)12-23(20,21)11-13-3-9-16(22-2)10-4-13/h3-10,19H,11-12H2,1-2H3
InChIKeyMQOSYSKVAGRKLG-UHFFFAOYSA-N
XLogP3.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol
CID 1474364
methyl 3-[(4-chlorophenyl)methylsulfonyl]-2,2-dimethylpropanoate
CID 114790044
(2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6977014
2-[5,6-dichloro-1-(1-iodoethyl)benzimidazol-2-yl]-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol
CID 69477796
(2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal
CID 42177102
2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)propan-2-yl]acetamide
CID 113091682
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216421
1-chloro-4-methoxybenzene;sulfuryl dichloride
CID 87177696
[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonylmethyl]phenyl]-bis(4-methoxyphenyl)methanol
CID 11135454
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213547
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
N-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]-2-methylpropan-2-amine
CID 114792066

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol (CID 3704416) is 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol is COc1ccc(CS(=O)(=O)CC(C)(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol?
The InChIKey is MQOSYSKVAGRKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO4S/c1-17(19,14-5-7-15(18)8-6-14)12-23(20,21)11-13-3-9-16(22-2)10-4-13/h3-10,19H,11-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol?
2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol has a molecular weight of 354.86 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol is sourced from PubChem (CID 3704416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).