3-(4-methylsulfonylphenyl)prop-2-en-1-ol

C10H12O3S — CID 71340386

IUPAC3-(4-methylsulfonylphenyl)prop-2-en-1-ol
SMILESCS(=O)(=O)c1ccc(C=CCO)cc1
InChIInChI=1S/C10H12O3S/c1-14(12,13)10-6-4-9(5-7-10)3-2-8-11/h2-7,11H,8H2,1H3
InChIKeyQGQOORJDFMGIMP-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.10
Rot. Bonds3

About 3-(4-methylsulfonylphenyl)prop-2-en-1-ol

3-(4-methylsulfonylphenyl)prop-2-en-1-ol (PubChem CID 71340386) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)prop-2-en-1-ol
PubChem CID71340386
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name3-(4-methylsulfonylphenyl)prop-2-en-1-ol
SMILESCS(=O)(=O)c1ccc(C=CCO)cc1
InChIInChI=1S/C10H12O3S/c1-14(12,13)10-6-4-9(5-7-10)3-2-8-11/h2-7,11H,8H2,1H3
InChIKeyQGQOORJDFMGIMP-UHFFFAOYSA-N
XLogP1.10
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylsulfonylphenyl)prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[4-(trifluoromethylsulfonyl)phenyl]prop-2-en-1-ol
CID 10706849
3-[4-[2-(4-methylsulfonylphenyl)ethenyl]anilino]propan-1-ol
CID 67905414
2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid
CID 169454184
(E)-2-(4-methylsulfonylphenyl)ethenesulfonamide
CID 43532219
1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone
CID 135007292
ethyl (Z)-3-(4-methylsulfonylphenyl)prop-2-enoate
CID 86308026
6-[4-[2-(4-methylsulfonylphenyl)ethenyl]anilino]hexan-1-ol
CID 54145917
6-[N-(6-hydroxyhexyl)-4-[2-(4-methylsulfonylphenyl)ethenyl]anilino]hexan-1-ol
CID 54060983
3-[4-(dimethylamino)phenyl]prop-2-en-1-ol
CID 53395716
3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene
CID 52949357
(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide
CID 19067517
4-[2-(4-methylsulfonylphenyl)ethenyl]-N,N-bis(prop-2-enyl)aniline
CID 54297094

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)prop-2-en-1-ol?
The IUPAC name of 3-(4-methylsulfonylphenyl)prop-2-en-1-ol (CID 71340386) is 3-(4-methylsulfonylphenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(4-methylsulfonylphenyl)prop-2-en-1-ol is CS(=O)(=O)c1ccc(C=CCO)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)prop-2-en-1-ol?
The InChIKey is QGQOORJDFMGIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-14(12,13)10-6-4-9(5-7-10)3-2-8-11/h2-7,11H,8H2,1H3.
What are the key properties of 3-(4-methylsulfonylphenyl)prop-2-en-1-ol?
3-(4-methylsulfonylphenyl)prop-2-en-1-ol has a molecular weight of 212.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 71340386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).