[3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate

C30H22O3 — CID 6124036

IUPAC[3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C30H22O3/c31-29(27-18-16-26(17-19-27)25-11-5-2-6-12-25)20-14-24-10-7-13-28(22-24)33-30(32)21-15-23-8-3-1-4-9-23/h1-22H/b20-14+,21-15+
InChIKeyFDBCHIAXIKDIOM-OZNQKUEASA-N
MW430.50 g/mol
LogP6.87
Rot. Bonds7

About [3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate

[3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate (PubChem CID 6124036) has the molecular formula C30H22O3 and a molecular weight of 430.50 g/mol. Its IUPAC name is [3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
PubChem CID6124036
Molecular FormulaC30H22O3
Molecular Weight430.50 g/mol
Exact Mass430.16
IUPAC Name[3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C30H22O3/c31-29(27-18-16-26(17-19-27)25-11-5-2-6-12-25)20-14-24-10-7-13-28(22-24)33-30(32)21-15-23-8-3-1-4-9-23/h1-22H/b20-14+,21-15+
InChIKeyFDBCHIAXIKDIOM-OZNQKUEASA-N
XLogP6.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6267120
(E)-3-(3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12632556
3-[3-[3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 3939138
[4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 3-phenylprop-2-enoate
CID 4105954
(E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one
CID 101376278
3-[(E)-3-phenylprop-2-enoyl]oxybenzoic acid
CID 54854728
[3-(3-oxo-3-phenylprop-1-enyl)phenyl] 4-fluorobenzoate
CID 5087937
(4-carbamoylphenyl) 3-(3-phenylphenyl)prop-2-enoate
CID 71896123
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
[3-(3-oxo-3-phenylprop-1-enyl)phenyl] 4-methoxybenzoate
CID 5088437
[3-(3-oxo-3-phenylprop-1-enyl)phenyl] 2-chlorobenzoate
CID 5088603
(E)-1-(4-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 5355679

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate (CID 6124036) is [3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of [3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate?
The InChIKey is FDBCHIAXIKDIOM-OZNQKUEASA-N. The full InChI is InChI=1S/C30H22O3/c31-29(27-18-16-26(17-19-27)25-11-5-2-6-12-25)20-14-24-10-7-13-28(22-24)33-30(32)21-15-23-8-3-1-4-9-23/h1-22H/b20-14+,21-15+.
What are the key properties of [3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate?
[3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate has a molecular weight of 430.50 g/mol, XLogP of 6.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 6124036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).