1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol

C17H19ClO3S — CID 47559173

IUPAC1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol
SMILESCc1ccc(C)c(CS(=O)(=O)CC(O)c2ccccc2Cl)c1
InChIInChI=1S/C17H19ClO3S/c1-12-7-8-13(2)14(9-12)10-22(20,21)11-17(19)15-5-3-4-6-16(15)18/h3-9,17,19H,10-11H2,1-2H3
InChIKeyDRJFKRRZFWWGRN-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.61
Rot. Bonds5

About 1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol

1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol (PubChem CID 47559173) has the molecular formula C17H19ClO3S and a molecular weight of 338.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol
PubChem CID47559173
Molecular FormulaC17H19ClO3S
Molecular Weight338.86 g/mol
Exact Mass338.07
IUPAC Name1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol
SMILESCc1ccc(C)c(CS(=O)(=O)CC(O)c2ccccc2Cl)c1
InChIInChI=1S/C17H19ClO3S/c1-12-7-8-13(2)14(9-12)10-22(20,21)11-17(19)15-5-3-4-6-16(15)18/h3-9,17,19H,10-11H2,1-2H3
InChIKeyDRJFKRRZFWWGRN-UHFFFAOYSA-N
XLogP3.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid
CID 79439737
1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol
CID 47559752
2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol
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2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol
CID 110905376
1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 105079773
N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 95775664
2-(2-chlorophenyl)sulfonyl-1-(2-methylphenyl)ethanol
CID 106585088
3-chloro-2-[(2,5-dimethylphenyl)methylsulfonyl]aniline
CID 81185154
2-benzylsulfonyl-1-(4-methylphenyl)ethanol
CID 111472432
1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55224701
2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol
CID 63411264
2-[(2,6-difluorophenyl)methylsulfonyl]-1-(4-fluoro-2-methylphenyl)ethanol
CID 110018275

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol (CID 47559173) is 1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol is Cc1ccc(C)c(CS(=O)(=O)CC(O)c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol?
The InChIKey is DRJFKRRZFWWGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO3S/c1-12-7-8-13(2)14(9-12)10-22(20,21)11-17(19)15-5-3-4-6-16(15)18/h3-9,17,19H,10-11H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol?
1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol has a molecular weight of 338.86 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol is sourced from PubChem (CID 47559173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).