methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate

C18H18O4 — CID 139796545

IUPACmethyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(OC)cc1/C=C/c1cccc(OC)c1
InChIInChI=1S/C18H18O4/c1-20-15-6-4-5-13(11-15)7-8-14-12-16(21-2)9-10-17(14)18(19)22-3/h4-12H,1-3H3/b8-7+
InChIKeyBERUKVAGAJNSEV-BQYQJAHWSA-N
MW298.34 g/mol
LogP3.66
Rot. Bonds5

About methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate

methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate (PubChem CID 139796545) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate
PubChem CID139796545
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Namemethyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(OC)cc1/C=C/c1cccc(OC)c1
InChIInChI=1S/C18H18O4/c1-20-15-6-4-5-13(11-15)7-8-14-12-16(21-2)9-10-17(14)18(19)22-3/h4-12H,1-3H3/b8-7+
InChIKeyBERUKVAGAJNSEV-BQYQJAHWSA-N
XLogP3.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate
CID 170944144
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
methyl 3-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]oxybenzoate
CID 7924254
(E)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 7514790
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
dimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate
CID 108905856
methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate
CID 154074873
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082
methyl 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-5-methylthiophene-3-carboxylate
CID 27397472
N-[(E)-2-(3-methoxyphenyl)ethenyl]benzamide
CID 146295261
(E)-3-(3-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723936
[3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate
CID 67721243

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate?
The IUPAC name of methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate (CID 139796545) is methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate.
What is the SMILES notation for methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate?
The canonical SMILES for methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate is COC(=O)c1ccc(OC)cc1/C=C/c1cccc(OC)c1.
What is the InChIKey of methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate?
The InChIKey is BERUKVAGAJNSEV-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H18O4/c1-20-15-6-4-5-13(11-15)7-8-14-12-16(21-2)9-10-17(14)18(19)22-3/h4-12H,1-3H3/b8-7+.
What are the key properties of methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate?
methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate has a molecular weight of 298.34 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate is sourced from PubChem (CID 139796545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).