1-(3-chloro-4-cyclopropylsulfonylphenyl)ethanol

C11H13ClO3S — CID 117406246

IUPAC1-(3-chloro-4-cyclopropylsulfonylphenyl)ethanol
SMILESCC(O)c1ccc(S(=O)(=O)C2CC2)c(Cl)c1
InChIInChI=1S/C11H13ClO3S/c1-7(13)8-2-5-11(10(12)6-8)16(14,15)9-3-4-9/h2,5-7,9,13H,3-4H2,1H3
InChIKeyWCUCOTSWYVUHQY-UHFFFAOYSA-N
MW260.74 g/mol
LogP2.33
Rot. Bonds3

About 1-(3-chloro-4-cyclopropylsulfonylphenyl)ethanol

1-(3-chloro-4-cyclopropylsulfonylphenyl)ethanol (PubChem CID 117406246) has the molecular formula C11H13ClO3S and a molecular weight of 260.74 g/mol. Its IUPAC name is 1-(3-chloro-4-cyclopropylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-cyclopropylsulfonylphenyl)ethanol
PubChem CID117406246
Molecular FormulaC11H13ClO3S
Molecular Weight260.74 g/mol
Exact Mass260.03
IUPAC Name1-(3-chloro-4-cyclopropylsulfonylphenyl)ethanol
SMILESCC(O)c1ccc(S(=O)(=O)C2CC2)c(Cl)c1
InChIInChI=1S/C11H13ClO3S/c1-7(13)8-2-5-11(10(12)6-8)16(14,15)9-3-4-9/h2,5-7,9,13H,3-4H2,1H3
InChIKeyWCUCOTSWYVUHQY-UHFFFAOYSA-N
XLogP2.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol
CID 117469790
2-(3-chloro-4-cyclopropylsulfonylphenyl)acetonitrile
CID 84805047
1-(4-amino-3-chlorophenyl)ethanol
CID 126971129
1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol
CID 63835939
4-(2-chloro-4-fluorophenyl)sulfonylpiperidine
CID 170075092
1-[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836525
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836509
(1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol
CID 124908033
(2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide
CID 16722628
4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine
CID 90106436
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909724
1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol
CID 117326037

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyclopropylsulfonylphenyl)ethanol?
The IUPAC name of 1-(3-chloro-4-cyclopropylsulfonylphenyl)ethanol (CID 117406246) is 1-(3-chloro-4-cyclopropylsulfonylphenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-cyclopropylsulfonylphenyl)ethanol?
The canonical SMILES for 1-(3-chloro-4-cyclopropylsulfonylphenyl)ethanol is CC(O)c1ccc(S(=O)(=O)C2CC2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-cyclopropylsulfonylphenyl)ethanol?
The InChIKey is WCUCOTSWYVUHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3S/c1-7(13)8-2-5-11(10(12)6-8)16(14,15)9-3-4-9/h2,5-7,9,13H,3-4H2,1H3.
What are the key properties of 1-(3-chloro-4-cyclopropylsulfonylphenyl)ethanol?
1-(3-chloro-4-cyclopropylsulfonylphenyl)ethanol has a molecular weight of 260.74 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyclopropylsulfonylphenyl)ethanol is sourced from PubChem (CID 117406246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).