methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate

C25H22O3 — CID 77432563

IUPACmethyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
SMILESCOC(=O)c1ccc(C=Cc2ccc(C=Cc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C25H22O3/c1-27-24-17-13-22(14-18-24)10-8-20-5-3-19(4-6-20)7-9-21-11-15-23(16-12-21)25(26)28-2/h3-18H,1-2H3
InChIKeyJEFMNVSDOGRVIY-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.82
Rot. Bonds6

About methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate

methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate (PubChem CID 77432563) has the molecular formula C25H22O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
PubChem CID77432563
Molecular FormulaC25H22O3
Molecular Weight370.45 g/mol
Exact Mass370.16
IUPAC Namemethyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
SMILESCOC(=O)c1ccc(C=Cc2ccc(C=Cc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C25H22O3/c1-27-24-17-13-22(14-18-24)10-8-20-5-3-19(4-6-20)7-9-21-11-15-23(16-12-21)25(26)28-2/h3-18H,1-2H3
InChIKeyJEFMNVSDOGRVIY-UHFFFAOYSA-N
XLogP5.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate 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

methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299
formic acid;methyl 4-methoxybenzoate
CID 159779883
methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate
CID 11129341
4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid
CID 59310556
methyl 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzoate
CID 66707351
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate
CID 27128867
methyl 4-[(Z)-3-methylbut-1-enyl]benzoate
CID 11321666
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
methyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate
CID 1040452
methyl 4-[2-[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 68977211

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate?
The IUPAC name of methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate (CID 77432563) is methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate.
What is the SMILES notation for methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate?
The canonical SMILES for methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate is COC(=O)c1ccc(C=Cc2ccc(C=Cc3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate?
The InChIKey is JEFMNVSDOGRVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O3/c1-27-24-17-13-22(14-18-24)10-8-20-5-3-19(4-6-20)7-9-21-11-15-23(16-12-21)25(26)28-2/h3-18H,1-2H3.
What are the key properties of methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate?
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate has a molecular weight of 370.45 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate is sourced from PubChem (CID 77432563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).