3-(4-chlorophenyl)sulfinylbutan-1-ol

C10H13ClO2S — CID 11368279

IUPAC3-(4-chlorophenyl)sulfinylbutan-1-ol
SMILESCC(CCO)S(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClO2S/c1-8(6-7-12)14(13)10-4-2-9(11)3-5-10/h2-5,8,12H,6-7H2,1H3
InChIKeyOWFZRDXYZZSADU-UHFFFAOYSA-N
MW232.73 g/mol
LogP2.22
Rot. Bonds4

About 3-(4-chlorophenyl)sulfinylbutan-1-ol

3-(4-chlorophenyl)sulfinylbutan-1-ol (PubChem CID 11368279) has the molecular formula C10H13ClO2S and a molecular weight of 232.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfinylbutan-1-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfinylbutan-1-ol
PubChem CID11368279
Molecular FormulaC10H13ClO2S
Molecular Weight232.73 g/mol
Exact Mass232.03
IUPAC Name3-(4-chlorophenyl)sulfinylbutan-1-ol
SMILESCC(CCO)S(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClO2S/c1-8(6-7-12)14(13)10-4-2-9(11)3-5-10/h2-5,8,12H,6-7H2,1H3
InChIKeyOWFZRDXYZZSADU-UHFFFAOYSA-N
XLogP2.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfinylbutan-1-ol?
The IUPAC name of 3-(4-chlorophenyl)sulfinylbutan-1-ol (CID 11368279) is 3-(4-chlorophenyl)sulfinylbutan-1-ol.
What is the SMILES notation for 3-(4-chlorophenyl)sulfinylbutan-1-ol?
The canonical SMILES for 3-(4-chlorophenyl)sulfinylbutan-1-ol is CC(CCO)S(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfinylbutan-1-ol?
The InChIKey is OWFZRDXYZZSADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S/c1-8(6-7-12)14(13)10-4-2-9(11)3-5-10/h2-5,8,12H,6-7H2,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfinylbutan-1-ol?
3-(4-chlorophenyl)sulfinylbutan-1-ol has a molecular weight of 232.73 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfinylbutan-1-ol is sourced from PubChem (CID 11368279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).