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

C25H20O4 — CID 51521387

IUPAC[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H20O4/c1-28-22-13-7-20(8-14-22)12-18-25(27)29-23-15-9-19(10-16-23)11-17-24(26)21-5-3-2-4-6-21/h2-18H,1H3/b17-11+,18-12-
InChIKeyFXZNENPOJIKRBN-HMQSQOOHSA-N
MW384.43 g/mol
LogP5.21
Rot. Bonds7

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

[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 51521387) has the molecular formula C25H20O4 and a molecular weight of 384.43 g/mol. Its IUPAC name is [4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID51521387
Molecular FormulaC25H20O4
Molecular Weight384.43 g/mol
Exact Mass384.14
IUPAC Name[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H20O4/c1-28-22-13-7-20(8-14-22)12-18-25(27)29-23-15-9-19(10-16-23)11-17-24(26)21-5-3-2-4-6-21/h2-18H,1H3/b17-11+,18-12-
InChIKeyFXZNENPOJIKRBN-HMQSQOOHSA-N
XLogP5.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(4-benzoylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 43910920
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
[4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 3-phenylprop-2-enoate
CID 4105954
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 6153080
[4-(3-oxo-3-phenylprop-1-enyl)phenyl] 2,6-dimethoxybenzoate
CID 3501822
naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 886279
(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 71945324
[4-[3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] 3-phenylprop-2-enoate
CID 3550111
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
[4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 2-methylbenzoate
CID 5089286
3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one
CID 54421018

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of [4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate (CID 51521387) is [4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate is COc1ccc(/C=C\C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is FXZNENPOJIKRBN-HMQSQOOHSA-N. The full InChI is InChI=1S/C25H20O4/c1-28-22-13-7-20(8-14-22)12-18-25(27)29-23-15-9-19(10-16-23)11-17-24(26)21-5-3-2-4-6-21/h2-18H,1H3/b17-11+,18-12-.
What are the key properties of [4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate?
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 384.43 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 51521387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).