[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate

C24H22O3 — CID 101380473

IUPAC[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate
SMILESCOc1ccc(/C=C/COC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H22O3/c1-26-22-16-14-19(15-17-22)9-8-18-27-24(25)23(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-17,23H,18H2,1H3/b9-8+
InChIKeyKTKCYEIRCQPXPU-CMDGGOBGSA-N
MW358.44 g/mol
LogP5.08
Rot. Bonds7

About [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate

[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate (PubChem CID 101380473) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate
PubChem CID101380473
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate
SMILESCOc1ccc(/C=C/COC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H22O3/c1-26-22-16-14-19(15-17-22)9-8-18-27-24(25)23(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-17,23H,18H2,1H3/b9-8+
InChIKeyKTKCYEIRCQPXPU-CMDGGOBGSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
(E)-5-(4-methoxyphenyl)-1-phenylpent-4-en-1-ol
CID 22559360
(E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol
CID 10517184
2-[3-(4-methoxyphenyl)prop-2-enoxyamino]prop-2-enoic acid
CID 57005653
dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate
CID 102494225
[(E)-3-phenylprop-2-enyl] 2-methyl-3-oxobutanoate
CID 14318947
[(E)-3-phenylprop-2-enyl] 3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonylpent-4-enoate
CID 101435769
5-(4-methoxyphenyl)pent-4-enoic acid
CID 54081465
ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate
CID 134116743
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
[(E)-3-phenylprop-2-enyl] 2-methyl-3-oxopentanoate
CID 11086061

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate?
The IUPAC name of [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate (CID 101380473) is [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate.
What is the SMILES notation for [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate?
The canonical SMILES for [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate is COc1ccc(/C=C/COC(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate?
The InChIKey is KTKCYEIRCQPXPU-CMDGGOBGSA-N. The full InChI is InChI=1S/C24H22O3/c1-26-22-16-14-19(15-17-22)9-8-18-27-24(25)23(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-17,23H,18H2,1H3/b9-8+.
What are the key properties of [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate?
[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate has a molecular weight of 358.44 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate is sourced from PubChem (CID 101380473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).