(Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol

C10H12O4S — CID 134871719

IUPAC(Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol
SMILESCO/C(=C(/O)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C10H12O4S/c1-14-10(15(2,12)13)9(11)8-6-4-3-5-7-8/h3-7,11H,1-2H3/b10-9-
InChIKeyLCAYKGNXHUCTPK-KTKRTIGZSA-N
MW228.27 g/mol
LogP1.56
Rot. Bonds3

About (Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol

(Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol (PubChem CID 134871719) has the molecular formula C10H12O4S and a molecular weight of 228.27 g/mol. Its IUPAC name is (Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol.

Molecular Properties

Compound Name(Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol
PubChem CID134871719
Molecular FormulaC10H12O4S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Name(Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol
SMILESCO/C(=C(/O)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C10H12O4S/c1-14-10(15(2,12)13)9(11)8-6-4-3-5-7-8/h3-7,11H,1-2H3/b10-9-
InChIKeyLCAYKGNXHUCTPK-KTKRTIGZSA-N
XLogP1.56
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol 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

(Z)-1,2-diphenylethene-1,2-diol
CID 11012436
methyl benzoate;hydrate
CID 141218240
CID 157228504
CID 157228504
methyl benzoate;(sulfamoylamino)benzene
CID 174928336
ethane;methoxymethane;methyl benzoate
CID 90999424
methyl 2-benzamido-2-methylsulfonylacetate
CID 121218020
methyl benzoate;sulfuryl dichloride;toluene
CID 162034075
1,1-diphenylprop-1-en-2-yl methanesulfonate
CID 135076312
N-(benzhydrylideneamino)methanesulfonamide
CID 22613527
2-methoxy-2-phenylethenone
CID 11819198
[methoxy(phenyl)methylidene]manganese
CID 134898444
2-hydroxyimino-2-methylsulfonyl-1-phenylethanone
CID 154330181

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol?
The IUPAC name of (Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol (CID 134871719) is (Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol.
What is the SMILES notation for (Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol?
The canonical SMILES for (Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol is CO/C(=C(/O)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol?
The InChIKey is LCAYKGNXHUCTPK-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H12O4S/c1-14-10(15(2,12)13)9(11)8-6-4-3-5-7-8/h3-7,11H,1-2H3/b10-9-.
What are the key properties of (Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol?
(Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol has a molecular weight of 228.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methoxy-2-methylsulfonyl-1-phenylethenol is sourced from PubChem (CID 134871719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).