(4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate

C11H14O4S — CID 71390856

IUPAC(4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate
SMILESC=C(C)CS(=O)(=O)Oc1ccc(OC)cc1
InChIInChI=1S/C11H14O4S/c1-9(2)8-16(12,13)15-11-6-4-10(14-3)5-7-11/h4-7H,1,8H2,2-3H3
InChIKeyJJHDJXOWSPGTHH-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.98
Rot. Bonds5

About (4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate

(4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate (PubChem CID 71390856) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is (4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate.

Molecular Properties

Compound Name(4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate
PubChem CID71390856
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name(4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate
SMILESC=C(C)CS(=O)(=O)Oc1ccc(OC)cc1
InChIInChI=1S/C11H14O4S/c1-9(2)8-16(12,13)15-11-6-4-10(14-3)5-7-11/h4-7H,1,8H2,2-3H3
InChIKeyJJHDJXOWSPGTHH-UHFFFAOYSA-N
XLogP1.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl) hydroxymethanesulfonate
CID 140999217
1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene
CID 172676194
(4-methoxyphenyl) 2,3-dichloropropane-1-sulfonate
CID 13193334
2-[(4-methoxyphenyl)sulfonylmethyl]prop-2-enoic acid
CID 18459278
1-[3-(4-methoxyphenyl)sulfonylprop-1-en-2-yl]-2-nitrobenzene
CID 139095452
prop-1-en-2-yl 2-(4-methoxyphenyl)acetate
CID 89069215
(E)-3-(4-methoxyphenyl)-2-methylprop-2-ene-1-sulfonic acid
CID 90282148
4-methoxy-N-(1-methoxyethenyl)benzenesulfonamide
CID 117059157
(4-hydroxyphenyl) chloromethanesulfonate
CID 14479818
(4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane
CID 102121635
(4-methoxyphenyl) (1-ethoxycyclobutyl)methanesulfonate
CID 126828201
3-(4-methoxyphenyl)sulfonylpropan-1-ol
CID 18411970

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate?
The IUPAC name of (4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate (CID 71390856) is (4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate.
What is the SMILES notation for (4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate?
The canonical SMILES for (4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate is C=C(C)CS(=O)(=O)Oc1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate?
The InChIKey is JJHDJXOWSPGTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-9(2)8-16(12,13)15-11-6-4-10(14-3)5-7-11/h4-7H,1,8H2,2-3H3.
What are the key properties of (4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate?
(4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate has a molecular weight of 242.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate is sourced from PubChem (CID 71390856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).