methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate

C17H16O4 — CID 71626584

IUPACmethyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate
SMILESCOC(=O)c1c(O)cc(OC)cc1/C=C/c1ccccc1
InChIInChI=1S/C17H16O4/c1-20-14-10-13(9-8-12-6-4-3-5-7-12)16(15(18)11-14)17(19)21-2/h3-11,18H,1-2H3/b9-8+
InChIKeyRVUFOQGJUHERLT-CMDGGOBGSA-N
MW284.31 g/mol
LogP3.36
Rot. Bonds4

About methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate

methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate (PubChem CID 71626584) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate
PubChem CID71626584
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Namemethyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate
SMILESCOC(=O)c1c(O)cc(OC)cc1/C=C/c1ccccc1
InChIInChI=1S/C17H16O4/c1-20-14-10-13(9-8-12-6-4-3-5-7-12)16(15(18)11-14)17(19)21-2/h3-11,18H,1-2H3/b9-8+
InChIKeyRVUFOQGJUHERLT-CMDGGOBGSA-N
XLogP3.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate
CID 154074873
methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate
CID 154074888
methyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate
CID 141364318
methyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate
CID 175426334
methyl 2-[(E)-2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate
CID 163207609
methyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate
CID 154074857
methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
CID 141326793
2-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-4-methoxybenzoic acid
CID 122183158
methyl 2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4,6-dimethoxybenzoate
CID 141364395
2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol
CID 73316036
methyl 4-(2,2-difluoroethoxy)-2-hydroxy-6-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzoate
CID 175426319
methyl 4-cyclobutyloxy-2-hydroxy-6-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzoate
CID 175426321

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate?
The IUPAC name of methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate (CID 71626584) is methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate.
What is the SMILES notation for methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate?
The canonical SMILES for methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate is COC(=O)c1c(O)cc(OC)cc1/C=C/c1ccccc1.
What is the InChIKey of methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate?
The InChIKey is RVUFOQGJUHERLT-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H16O4/c1-20-14-10-13(9-8-12-6-4-3-5-7-12)16(15(18)11-14)17(19)21-2/h3-11,18H,1-2H3/b9-8+.
What are the key properties of methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate?
methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate has a molecular weight of 284.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate is sourced from PubChem (CID 71626584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).