methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate

C17H16O3 — CID 155479645

IUPACmethyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate
SMILESCOC(=O)c1cc(/C=C/c2ccccc2)ccc1OC
InChIInChI=1S/C17H16O3/c1-19-16-11-10-14(12-15(16)17(18)20-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+
InChIKeyYLEOKIPUEXDEBU-CMDGGOBGSA-N
MW268.31 g/mol
LogP3.65
Rot. Bonds4

About methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate

methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate (PubChem CID 155479645) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate
PubChem CID155479645
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Namemethyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate
SMILESCOC(=O)c1cc(/C=C/c2ccccc2)ccc1OC
InChIInChI=1S/C17H16O3/c1-19-16-11-10-14(12-15(16)17(18)20-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+
InChIKeyYLEOKIPUEXDEBU-CMDGGOBGSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-methoxy-5-[(E)-2-phenylethenyl]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 2-amino-5-(2-phenylethenyl)benzoate
CID 70119663
methyl 2-nitro-5-[(E)-2-phenylethenyl]benzoate
CID 5383028
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164
methyl 5-(3-acetamido-3-oxoprop-1-enyl)-2-methoxybenzoate
CID 175374522
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate
CID 90187627
methyl 2-methoxy-5-(N-phenylanilino)benzoate
CID 90352051
dimethyl 6-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylate
CID 11089322
[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] 4-chlorobenzoate
CID 19171170
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 36828005
ethane;methyl 2-methoxybenzoate
CID 178037044
2-[2-(3,4-dimethoxyphenyl)ethenyl]benzoic acid
CID 54188462

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate?
The IUPAC name of methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate (CID 155479645) is methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate.
What is the SMILES notation for methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate?
The canonical SMILES for methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate is COC(=O)c1cc(/C=C/c2ccccc2)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate?
The InChIKey is YLEOKIPUEXDEBU-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H16O3/c1-19-16-11-10-14(12-15(16)17(18)20-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+.
What are the key properties of methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate?
methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate has a molecular weight of 268.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate is sourced from PubChem (CID 155479645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).