1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol

C12H15ClO4S — CID 117469790

IUPAC1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(S(=O)(=O)C2COC2)c(Cl)c1
InChIInChI=1S/C12H15ClO4S/c1-8(14)4-9-2-3-12(11(13)5-9)18(15,16)10-6-17-7-10/h2-3,5,8,10,14H,4,6-7H2,1H3
InChIKeyKEUSPACWKCJNTE-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.44
Rot. Bonds4

About 1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol

1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol (PubChem CID 117469790) has the molecular formula C12H15ClO4S and a molecular weight of 290.77 g/mol. Its IUPAC name is 1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol
PubChem CID117469790
Molecular FormulaC12H15ClO4S
Molecular Weight290.77 g/mol
Exact Mass290.04
IUPAC Name1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(S(=O)(=O)C2COC2)c(Cl)c1
InChIInChI=1S/C12H15ClO4S/c1-8(14)4-9-2-3-12(11(13)5-9)18(15,16)10-6-17-7-10/h2-3,5,8,10,14H,4,6-7H2,1H3
InChIKeyKEUSPACWKCJNTE-UHFFFAOYSA-N
XLogP1.44
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propanoic acid
CID 117490079
1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-amine
CID 117435672
2-amino-1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]ethanone
CID 117468002
1-(3-chloro-4-cyclopropylsulfonylphenyl)ethanol
CID 117406246
1-(3-chloro-4-cyclopropylphenyl)propan-2-ol
CID 117300896
3-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]pyrrolidine
CID 117485911
2-(3-chloro-4-cyclopropylsulfonylphenyl)acetonitrile
CID 84805047
3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol
CID 117438220
1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol
CID 117420897
1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol
CID 115005691
4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine
CID 90106436
2-chloro-N,N-dimethyl-4-[4-methyl-2-(2-methylpropanoyl)-3-oxopentyl]benzenesulfonamide
CID 142417265

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol?
The IUPAC name of 1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol (CID 117469790) is 1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol is CC(O)Cc1ccc(S(=O)(=O)C2COC2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol?
The InChIKey is KEUSPACWKCJNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO4S/c1-8(14)4-9-2-3-12(11(13)5-9)18(15,16)10-6-17-7-10/h2-3,5,8,10,14H,4,6-7H2,1H3.
What are the key properties of 1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol?
1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol has a molecular weight of 290.77 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol is sourced from PubChem (CID 117469790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).