2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol

C11H15ClO3S — CID 79449397

IUPAC2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CCC(CO)c1ccccc1Cl
InChIInChI=1S/C11H15ClO3S/c1-16(14,15)7-6-9(8-13)10-4-2-3-5-11(10)12/h2-5,9,13H,6-8H2,1H3
InChIKeyCXVMFHDGHQUJOL-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.85
Rot. Bonds5

About 2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol

2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol (PubChem CID 79449397) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol
PubChem CID79449397
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CCC(CO)c1ccccc1Cl
InChIInChI=1S/C11H15ClO3S/c1-16(14,15)7-6-9(8-13)10-4-2-3-5-11(10)12/h2-5,9,13H,6-8H2,1H3
InChIKeyCXVMFHDGHQUJOL-UHFFFAOYSA-N
XLogP1.85
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 79449274
2-(2-chlorophenyl)decan-1-ol;methanesulfonic acid
CID 88842519
2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid
CID 88843067
2,5-bis(2-chlorophenyl)pent-4-en-1-ol;methanesulfonic acid
CID 173462269
2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine
CID 79436256
2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol
CID 103018095
(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol
CID 42135569
1-bromo-2-(1-chloro-4-methylsulfonylbutan-2-yl)benzene
CID 79454715
1-(1-chloro-4-methylsulfonylbutan-2-yl)-2-fluorobenzene
CID 79454374
1-(2-chlorophenyl)-4-methylsulfonylbutan-2-ol
CID 62606385
4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol
CID 79448797
5-methylsulfonyl-2-phenylpentan-1-ol
CID 66058366

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol?
The IUPAC name of 2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol (CID 79449397) is 2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol is CS(=O)(=O)CCC(CO)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol?
The InChIKey is CXVMFHDGHQUJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-16(14,15)7-6-9(8-13)10-4-2-3-5-11(10)12/h2-5,9,13H,6-8H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol?
2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol has a molecular weight of 262.76 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 79449397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).