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

C30H24O4 — CID 134263023

IUPAC[(E)-2-benzoyloxy-1,2-bis(2-methylphenyl)ethenyl] benzoate
SMILESCc1ccccc1/C(OC(=O)c1ccccc1)=C(\OC(=O)c1ccccc1)c1ccccc1C
InChIInChI=1S/C30H24O4/c1-21-13-9-11-19-25(21)27(33-29(31)23-15-5-3-6-16-23)28(26-20-12-10-14-22(26)2)34-30(32)24-17-7-4-8-18-24/h3-20H,1-2H3/b28-27+
InChIKeyRTFKHSFAJFUIJC-BYYHNAKLSA-N
MW448.52 g/mol
LogP6.84
Rot. Bonds6

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

[(E)-2-benzoyloxy-1,2-bis(2-methylphenyl)ethenyl] benzoate (PubChem CID 134263023) has the molecular formula C30H24O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is [(E)-2-benzoyloxy-1,2-bis(2-methylphenyl)ethenyl] benzoate.

Molecular Properties

Compound Name[(E)-2-benzoyloxy-1,2-bis(2-methylphenyl)ethenyl] benzoate
PubChem CID134263023
Molecular FormulaC30H24O4
Molecular Weight448.52 g/mol
Exact Mass448.17
IUPAC Name[(E)-2-benzoyloxy-1,2-bis(2-methylphenyl)ethenyl] benzoate
SMILESCc1ccccc1/C(OC(=O)c1ccccc1)=C(\OC(=O)c1ccccc1)c1ccccc1C
InChIInChI=1S/C30H24O4/c1-21-13-9-11-19-25(21)27(33-29(31)23-15-5-3-6-16-23)28(26-20-12-10-14-22(26)2)34-30(32)24-17-7-4-8-18-24/h3-20H,1-2H3/b28-27+
InChIKeyRTFKHSFAJFUIJC-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

[(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate
CID 122517190
benzoyl 2,5-dimethylbenzoate
CID 87941827
(4-tert-butylbenzoyl) 2-methylbenzoate
CID 175426227
CID 162308474
CID 162308474
benzoyl benzoate;methylperoxymethane
CID 88758305
1-(2-methylphenyl)ethanone;1-phenylethanone
CID 160893925
(2-methylphenyl) 2-benzoyloxybenzoate
CID 21306244
benzamido 2-methylbenzoate
CID 5260358
nitroso 2-methylbenzoate
CID 175187431
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
bromo 2-methylbenzoate
CID 67185739

Frequently Asked Questions

What is the IUPAC name of [(E)-2-benzoyloxy-1,2-bis(2-methylphenyl)ethenyl] benzoate?
The IUPAC name of [(E)-2-benzoyloxy-1,2-bis(2-methylphenyl)ethenyl] benzoate (CID 134263023) is [(E)-2-benzoyloxy-1,2-bis(2-methylphenyl)ethenyl] benzoate.
What is the SMILES notation for [(E)-2-benzoyloxy-1,2-bis(2-methylphenyl)ethenyl] benzoate?
The canonical SMILES for [(E)-2-benzoyloxy-1,2-bis(2-methylphenyl)ethenyl] benzoate is Cc1ccccc1/C(OC(=O)c1ccccc1)=C(\OC(=O)c1ccccc1)c1ccccc1C.
What is the InChIKey of [(E)-2-benzoyloxy-1,2-bis(2-methylphenyl)ethenyl] benzoate?
The InChIKey is RTFKHSFAJFUIJC-BYYHNAKLSA-N. The full InChI is InChI=1S/C30H24O4/c1-21-13-9-11-19-25(21)27(33-29(31)23-15-5-3-6-16-23)28(26-20-12-10-14-22(26)2)34-30(32)24-17-7-4-8-18-24/h3-20H,1-2H3/b28-27+.
What are the key properties of [(E)-2-benzoyloxy-1,2-bis(2-methylphenyl)ethenyl] benzoate?
[(E)-2-benzoyloxy-1,2-bis(2-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(2-methylphenyl)ethenyl] benzoate is sourced from PubChem (CID 134263023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).