methyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate

C17H16O3 — CID 170944144

IUPACmethyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate
SMILESCOC(=O)c1ccccc1C=Cc1cccc(OC)c1
InChIInChI=1S/C17H16O3/c1-19-15-8-5-6-13(12-15)10-11-14-7-3-4-9-16(14)17(18)20-2/h3-12H,1-2H3
InChIKeyMURRKTDQOGQVLZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.65
Rot. Bonds4

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

methyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate (PubChem CID 170944144) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate
PubChem CID170944144
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Namemethyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate
SMILESCOC(=O)c1ccccc1C=Cc1cccc(OC)c1
InChIInChI=1S/C17H16O3/c1-19-15-8-5-6-13(12-15)10-11-14-7-3-4-9-16(14)17(18)20-2/h3-12H,1-2H3
InChIKeyMURRKTDQOGQVLZ-UHFFFAOYSA-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'}

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Related Compounds

methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate
CID 139796545
methyl 2-[2-(3-methoxyphenyl)-2-oxoacetyl]benzoate
CID 10108693
methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate
CID 14690852
methyl 3-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]oxybenzoate
CID 7924254
N-[(E)-2-(3-methoxyphenyl)ethenyl]benzamide
CID 146295261
1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 85442663
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
methyl 2-[(E)-2-(4-nitrophenyl)ethenyl]benzoate
CID 6300586
methyl 2-[(E)-3-oxoprop-1-enyl]benzoate
CID 12656130
methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate
CID 155479645
methyl 2-(3-phenoxyprop-1-enyl)benzoate
CID 67414986
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate?
The IUPAC name of methyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate (CID 170944144) is methyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate.
What is the SMILES notation for methyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate?
The canonical SMILES for methyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate is COC(=O)c1ccccc1C=Cc1cccc(OC)c1.
What is the InChIKey of methyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate?
The InChIKey is MURRKTDQOGQVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-19-15-8-5-6-13(12-15)10-11-14-7-3-4-9-16(14)17(18)20-2/h3-12H,1-2H3.
What are the key properties of methyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate?
methyl 2-[2-(3-methoxyphenyl)ethenyl]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-[2-(3-methoxyphenyl)ethenyl]benzoate is sourced from PubChem (CID 170944144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).