[(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate

C30H24O4 — CID 122517190

IUPAC[(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate
SMILESCc1ccc(/C(OC(=O)c2ccccc2)=C(\OC(=O)c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H24O4/c1-21-13-17-23(18-14-21)27(33-29(31)25-9-5-3-6-10-25)28(24-19-15-22(2)16-20-24)34-30(32)26-11-7-4-8-12-26/h3-20H,1-2H3/b28-27+
InChIKeyJKWDTZKEOIDUSE-BYYHNAKLSA-N
MW448.52 g/mol
LogP6.84
Rot. Bonds6

About [(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate

[(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate (PubChem CID 122517190) has the molecular formula C30H24O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is [(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate.

Molecular Properties

Compound Name[(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate
PubChem CID122517190
Molecular FormulaC30H24O4
Molecular Weight448.52 g/mol
Exact Mass448.17
IUPAC Name[(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate
SMILESCc1ccc(/C(OC(=O)c2ccccc2)=C(\OC(=O)c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H24O4/c1-21-13-17-23(18-14-21)27(33-29(31)25-9-5-3-6-10-25)28(24-19-15-22(2)16-20-24)34-30(32)26-11-7-4-8-12-26/h3-20H,1-2H3/b28-27+
InChIKeyJKWDTZKEOIDUSE-BYYHNAKLSA-N
XLogP6.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 58750532
CID 58750532
[(E)-2-benzoyloxy-1,2-bis(2-methylphenyl)ethenyl] benzoate
CID 134263023
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
benzoic acid;4-methylbenzoic acid
CID 71272637
methanol;methyl 4-methylbenzoate;toluene
CID 142226695
(2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate
CID 134263039
carbonofluoridoyl 4-methylbenzoate
CID 143461298
[(E)-1-fluoro-2-(4-methylphenyl)ethenyl] benzoate
CID 135004942
benzoyl benzoate;methylperoxymethane
CID 88758305
CID 162308474
CID 162308474
[(E)-2-(2-nitrophenyl)sulfanyl-3-oxo-1,3-diphenylprop-1-enyl] 4-methylbenzoate
CID 39920908
formaldehyde;(4-methylphenyl) benzoate
CID 143467602

Frequently Asked Questions

What is the IUPAC name of [(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate?
The IUPAC name of [(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate (CID 122517190) is [(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate.
What is the SMILES notation for [(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate?
The canonical SMILES for [(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate is Cc1ccc(/C(OC(=O)c2ccccc2)=C(\OC(=O)c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of [(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate?
The InChIKey is JKWDTZKEOIDUSE-BYYHNAKLSA-N. The full InChI is InChI=1S/C30H24O4/c1-21-13-17-23(18-14-21)27(33-29(31)25-9-5-3-6-10-25)28(24-19-15-22(2)16-20-24)34-30(32)26-11-7-4-8-12-26/h3-20H,1-2H3/b28-27+.
What are the key properties of [(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate?
[(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate has a molecular weight of 448.52 g/mol, XLogP of 6.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate is sourced from PubChem (CID 122517190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).