(4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate

C16H16O4S — CID 86126985

IUPAC(4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate
SMILESC=Cc1ccc(S(=O)(=O)OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H16O4S/c1-3-13-6-10-16(11-7-13)21(17,18)20-12-14-4-8-15(19-2)9-5-14/h3-11H,1,12H2,2H3
InChIKeyFGIGPKRIJUAUOI-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.24
Rot. Bonds6

About (4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate

(4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate (PubChem CID 86126985) has the molecular formula C16H16O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate
PubChem CID86126985
Molecular FormulaC16H16O4S
Molecular Weight304.37 g/mol
Exact Mass304.08
IUPAC Name(4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate
SMILESC=Cc1ccc(S(=O)(=O)OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H16O4S/c1-3-13-6-10-16(11-7-13)21(17,18)20-12-14-4-8-15(19-2)9-5-14/h3-11H,1,12H2,2H3
InChIKeyFGIGPKRIJUAUOI-UHFFFAOYSA-N
XLogP3.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate)
CID 15328821
1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione
CID 139092302
[(1R,4S)-4-[(4-methoxyphenyl)methoxymethyl]cyclobut-2-en-1-yl]methyl 4-methylbenzenesulfonate
CID 11825268
1-ethenyl-4-[4-(methoxymethyl)phenyl]benzene
CID 22186395
[(2S,3R)-3-[(4-methoxyphenyl)methoxy]-2-methylbutyl] 4-methylbenzenesulfonate
CID 134962077
(3-ethyloxetan-3-yl)methyl 4-ethenylbenzenesulfonate
CID 71429055
4-[2-[(4-ethenylphenyl)methoxy]cyclohexyl]oxybenzenesulfonate
CID 140670033
4-ethenoxybutyl 4-ethenylbenzenesulfonate
CID 20697219
1-ethenyl-4-methoxybenzene;triazine
CID 174412273
(4-ethenylphenyl)-bis(4-methoxyphenyl)methanol
CID 101342310
[4-(hydroxymethyl)phenyl]methyl 4-methylbenzenesulfonate
CID 87769781
[3-[4-(4-methoxyphenyl)phenyl]sulfonyloxy-2,2-bis[[4-(4-methoxyphenyl)phenyl]sulfonyloxymethyl]propyl] 4-(4-methoxyphenyl)benzenesulfonate
CID 23726441

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate?
The IUPAC name of (4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate (CID 86126985) is (4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate.
What is the SMILES notation for (4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate?
The canonical SMILES for (4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate is C=Cc1ccc(S(=O)(=O)OCc2ccc(OC)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate?
The InChIKey is FGIGPKRIJUAUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4S/c1-3-13-6-10-16(11-7-13)21(17,18)20-12-14-4-8-15(19-2)9-5-14/h3-11H,1,12H2,2H3.
What are the key properties of (4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate?
(4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate has a molecular weight of 304.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate is sourced from PubChem (CID 86126985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).