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

C24H22O4 — CID 70346485

IUPACmethyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(C=Cc2ccccc2OCc2ccccc2)c(OC)c1
InChIInChI=1S/C24H22O4/c1-26-23-16-21(24(25)27-2)15-14-20(23)13-12-19-10-6-7-11-22(19)28-17-18-8-4-3-5-9-18/h3-16H,17H2,1-2H3
InChIKeyCPSUAZFUFGFFNM-UHFFFAOYSA-N
MW374.44 g/mol
LogP5.23
Rot. Bonds7

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

methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate (PubChem CID 70346485) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate
PubChem CID70346485
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Namemethyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(C=Cc2ccccc2OCc2ccccc2)c(OC)c1
InChIInChI=1S/C24H22O4/c1-26-23-16-21(24(25)27-2)15-14-20(23)13-12-19-10-6-7-11-22(19)28-17-18-8-4-3-5-9-18/h3-16H,17H2,1-2H3
InChIKeyCPSUAZFUFGFFNM-UHFFFAOYSA-N
XLogP5.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.23
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 3,5-dibromo-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]benzoate
CID 18973794
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
3-bromo-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 18973994
methyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate
CID 10827780
2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 54000159
methyl 4-[[2-[(E)-3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 7946195
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
methyl 4-[[2-[3-(benzylamino)-2-(benzylcarbamoyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 4654190
methyl 4-[[2-[(E)-3-(2,4-dimethylphenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 7973176

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate?
The IUPAC name of methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate (CID 70346485) is methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate.
What is the SMILES notation for methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate?
The canonical SMILES for methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate is COC(=O)c1ccc(C=Cc2ccccc2OCc2ccccc2)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate?
The InChIKey is CPSUAZFUFGFFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c1-26-23-16-21(24(25)27-2)15-14-20(23)13-12-19-10-6-7-11-22(19)28-17-18-8-4-3-5-9-18/h3-16H,17H2,1-2H3.
What are the key properties of methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate?
methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate has a molecular weight of 374.44 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate is sourced from PubChem (CID 70346485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).