1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene

C11H14O3S — CID 172676194

IUPAC1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene
SMILESC=C(CS(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C11H14O3S/c1-9(8-15(3,12)13)10-4-6-11(14-2)7-5-10/h4-7H,1,8H2,2-3H3
InChIKeyXMWTYSHYVWMCAE-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.75
Rot. Bonds4

About 1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene

1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene (PubChem CID 172676194) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene
PubChem CID172676194
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene
SMILESC=C(CS(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C11H14O3S/c1-9(8-15(3,12)13)10-4-6-11(14-2)7-5-10/h4-7H,1,8H2,2-3H3
InChIKeyXMWTYSHYVWMCAE-UHFFFAOYSA-N
XLogP1.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene 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

2-(4-methoxyphenyl)prop-2-ene-1-thiol
CID 144986295
S-(4-methoxyphenyl) 2-methylsulfonylethanethioate
CID 86222485
4-(4-methoxyphenyl)pent-4-enal
CID 102505314
1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene
CID 101367118
(4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate
CID 71390856
actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
1-[2-(4-methoxyphenyl)prop-2-enyl]piperidine
CID 53360981
1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone
CID 10085154
2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide
CID 15272504
2-[(4-methoxyphenyl)sulfonylmethyl]prop-2-enoic acid
CID 18459278
1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene
CID 102437970
N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide
CID 58597503

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene?
The IUPAC name of 1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene (CID 172676194) is 1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene.
What is the SMILES notation for 1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene?
The canonical SMILES for 1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene is C=C(CS(C)(=O)=O)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene?
The InChIKey is XMWTYSHYVWMCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-9(8-15(3,12)13)10-4-6-11(14-2)7-5-10/h4-7H,1,8H2,2-3H3.
What are the key properties of 1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene?
1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene has a molecular weight of 226.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene is sourced from PubChem (CID 172676194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).