6-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]sulfonylhexyl prop-2-enoate

C24H28O5S — CID 54239095

IUPAC6-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]sulfonylhexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCS(=O)(=O)c1ccc(C=Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C24H28O5S/c1-3-24(25)29-18-6-4-5-7-19-30(26,27)23-16-12-21(13-17-23)9-8-20-10-14-22(28-2)15-11-20/h3,8-17H,1,4-7,18-19H2,2H3
InChIKeyQOSOPKOODBIHSG-UHFFFAOYSA-N
MW428.55 g/mol
LogP4.93
Rot. Bonds12

About 6-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]sulfonylhexyl prop-2-enoate

6-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]sulfonylhexyl prop-2-enoate (PubChem CID 54239095) has the molecular formula C24H28O5S and a molecular weight of 428.55 g/mol. Its IUPAC name is 6-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]sulfonylhexyl prop-2-enoate.

Molecular Properties

Compound Name6-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]sulfonylhexyl prop-2-enoate
PubChem CID54239095
Molecular FormulaC24H28O5S
Molecular Weight428.55 g/mol
Exact Mass428.17
IUPAC Name6-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]sulfonylhexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCS(=O)(=O)c1ccc(C=Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C24H28O5S/c1-3-24(25)29-18-6-4-5-7-19-30(26,27)23-16-12-21(13-17-23)9-8-20-10-14-22(28-2)15-11-20/h3,8-17H,1,4-7,18-19H2,2H3
InChIKeyQOSOPKOODBIHSG-UHFFFAOYSA-N
XLogP4.93
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 6-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]sulfonylhexyl prop-2-enoate 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

4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate
CID 19745504
[4-[4-[(E)-3-[4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoyl]oxyphenyl]sulfonylphenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 59816708
[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 101360108
undec-10-enyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 100917126
butyl (E)-3-(4-methoxyphenyl)prop-2-enoate;butyl prop-2-enoate;1-chloro-4-methoxybenzene;methane
CID 159862515
3-[4-(12-prop-2-enoyloxydodecoxy)phenyl]prop-2-enoic acid
CID 67554557
6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 134454514
[4-(6-prop-2-enoyloxyhexylsulfonyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 59281735
butyl (E)-3-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enoate
CID 56950890
6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate
CID 59608803
6-(4-formylphenoxy)hexyl prop-2-enoate;methanol
CID 145059918
(E)-3-[4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoic acid
CID 11208514

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]sulfonylhexyl prop-2-enoate?
The IUPAC name of 6-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]sulfonylhexyl prop-2-enoate (CID 54239095) is 6-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]sulfonylhexyl prop-2-enoate.
What is the SMILES notation for 6-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]sulfonylhexyl prop-2-enoate?
The canonical SMILES for 6-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]sulfonylhexyl prop-2-enoate is C=CC(=O)OCCCCCCS(=O)(=O)c1ccc(C=Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 6-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]sulfonylhexyl prop-2-enoate?
The InChIKey is QOSOPKOODBIHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O5S/c1-3-24(25)29-18-6-4-5-7-19-30(26,27)23-16-12-21(13-17-23)9-8-20-10-14-22(28-2)15-11-20/h3,8-17H,1,4-7,18-19H2,2H3.
What are the key properties of 6-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]sulfonylhexyl prop-2-enoate?
6-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]sulfonylhexyl prop-2-enoate has a molecular weight of 428.55 g/mol, XLogP of 4.93, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]sulfonylhexyl prop-2-enoate is sourced from PubChem (CID 54239095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).