[3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate

C25H24O4 — CID 11760893

IUPAC[3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate
SMILESCOc1ccc(C(=CC(OC(C)=O)c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H24O4/c1-18(26)29-25(21-7-5-4-6-8-21)17-24(19-9-13-22(27-2)14-10-19)20-11-15-23(28-3)16-12-20/h4-17,25H,1-3H3
InChIKeyYGIIOMVFZKFHJB-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.44
Rot. Bonds7

About [3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate

[3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate (PubChem CID 11760893) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is [3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate.

Molecular Properties

Compound Name[3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate
PubChem CID11760893
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name[3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate
SMILESCOc1ccc(C(=CC(OC(C)=O)c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H24O4/c1-18(26)29-25(21-7-5-4-6-8-21)17-24(19-9-13-22(27-2)14-10-19)20-11-15-23(28-3)16-12-20/h4-17,25H,1-3H3
InChIKeyYGIIOMVFZKFHJB-UHFFFAOYSA-N
XLogP5.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate
CID 177474454
(4-methoxyphenyl) (2S)-2-acetyloxy-2-phenylacetate
CID 102577965
[(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate
CID 101487318
(4-methyl-1,1-diphenylpent-1-en-3-yl) acetate
CID 101081255
[(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate
CID 15421892
(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 14547230
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
2-benzhydrylimino-1-(4-methoxyphenyl)ethanone
CID 139818833
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
4-methoxybenzoic acid;silver
CID 140722019

Frequently Asked Questions

What is the IUPAC name of [3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate?
The IUPAC name of [3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate (CID 11760893) is [3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate.
What is the SMILES notation for [3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate?
The canonical SMILES for [3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate is COc1ccc(C(=CC(OC(C)=O)c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate?
The InChIKey is YGIIOMVFZKFHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c1-18(26)29-25(21-7-5-4-6-8-21)17-24(19-9-13-22(27-2)14-10-19)20-11-15-23(28-3)16-12-20/h4-17,25H,1-3H3.
What are the key properties of [3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate?
[3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate has a molecular weight of 388.46 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate is sourced from PubChem (CID 11760893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).