dimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate

C24H20O4 — CID 134959139

IUPACdimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c(C(=O)OC)cc1/C=C/c1ccccc1
InChIInChI=1S/C24H20O4/c1-27-23(25)21-16-20(18-11-7-4-8-12-18)22(24(26)28-2)15-19(21)14-13-17-9-5-3-6-10-17/h3-16H,1-2H3/b14-13+
InChIKeyLNUOZULJUJTLTK-BUHFOSPRSA-N
MW372.42 g/mol
LogP5.10
Rot. Bonds5

About dimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate

dimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate (PubChem CID 134959139) has the molecular formula C24H20O4 and a molecular weight of 372.42 g/mol. Its IUPAC name is dimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate
PubChem CID134959139
Molecular FormulaC24H20O4
Molecular Weight372.42 g/mol
Exact Mass372.14
IUPAC Namedimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c(C(=O)OC)cc1/C=C/c1ccccc1
InChIInChI=1S/C24H20O4/c1-27-23(25)21-16-20(18-11-7-4-8-12-18)22(24(26)28-2)15-19(21)14-13-17-9-5-3-6-10-17/h3-16H,1-2H3/b14-13+
InChIKeyLNUOZULJUJTLTK-BUHFOSPRSA-N
XLogP5.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.10
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 5-formyl-4-methyl-2-phenylbenzoate
CID 174407984
methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate
CID 155479645
methyl 2-amino-5-(2-phenylethenyl)benzoate
CID 70119663
methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate
CID 132566202
methyl 5-methyl-2-phenylbenzoate;5-methyl-2-phenylbenzoic acid
CID 70270036
methyl 4-amino-2-phenylbenzoate
CID 15406988
methyl 2-phenyl-4-sulfanylbenzoate
CID 54364019
methyl 2-nitro-5-[(E)-2-phenylethenyl]benzoate
CID 5383028
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
methyl 2-[(E)-3-phenylprop-2-enoyl]benzoate
CID 10333131
dimethyl benzene-1,2-dicarboxylate;methyl (E)-3-phenylprop-2-enoate
CID 19966781
methyl 2-amino-4-methyl-5-phenylbenzoate
CID 113445321

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate (CID 134959139) is dimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate is COC(=O)c1cc(-c2ccccc2)c(C(=O)OC)cc1/C=C/c1ccccc1.
What is the InChIKey of dimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate?
The InChIKey is LNUOZULJUJTLTK-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H20O4/c1-27-23(25)21-16-20(18-11-7-4-8-12-18)22(24(26)28-2)15-19(21)14-13-17-9-5-3-6-10-17/h3-16H,1-2H3/b14-13+.
What are the key properties of dimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate?
dimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate has a molecular weight of 372.42 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate is sourced from PubChem (CID 134959139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).