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

C17H19ClO4S — CID 4552466

IUPAC2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol
SMILESCOc1ccc(CS(=O)(=O)CC(C)(O)c2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClO4S/c1-17(19,15-5-3-4-6-16(15)18)12-23(20,21)11-13-7-9-14(22-2)10-8-13/h3-10,19H,11-12H2,1-2H3
InChIKeyUIZXPFAWZNOEDD-UHFFFAOYSA-N
MW354.86 g/mol
LogP3.17
Rot. Bonds6

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

2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol (PubChem CID 4552466) has the molecular formula C17H19ClO4S and a molecular weight of 354.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol
PubChem CID4552466
Molecular FormulaC17H19ClO4S
Molecular Weight354.86 g/mol
Exact Mass354.07
IUPAC Name2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol
SMILESCOc1ccc(CS(=O)(=O)CC(C)(O)c2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClO4S/c1-17(19,15-5-3-4-6-16(15)18)12-23(20,21)11-13-7-9-14(22-2)10-8-13/h3-10,19H,11-12H2,1-2H3
InChIKeyUIZXPFAWZNOEDD-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol?
The IUPAC name of 2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol (CID 4552466) is 2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol?
The canonical SMILES for 2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol is COc1ccc(CS(=O)(=O)CC(C)(O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol?
The InChIKey is UIZXPFAWZNOEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO4S/c1-17(19,15-5-3-4-6-16(15)18)12-23(20,21)11-13-7-9-14(22-2)10-8-13/h3-10,19H,11-12H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol?
2-(2-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-(2-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol is sourced from PubChem (CID 4552466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).