3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one

C25H20N2O3 — CID 3021328

IUPAC3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one
SMILESCOc1cc(C=CC(=O)c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)ccc1O
InChIInChI=1S/C25H20N2O3/c1-30-25-14-17(7-13-24(25)29)6-12-23(28)18-8-10-20(11-9-18)26-15-19-16-27-22-5-3-2-4-21(19)22/h2-16,27,29H,1H3/b12-6?,26-15+
InChIKeyZWHIRVUMDSIUBU-GDOWTDJYSA-N
MW396.45 g/mol
LogP5.53
Rot. Bonds6

About 3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one

3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one (PubChem CID 3021328) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one
PubChem CID3021328
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one
SMILESCOc1cc(C=CC(=O)c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)ccc1O
InChIInChI=1S/C25H20N2O3/c1-30-25-14-17(7-13-24(25)29)6-12-23(28)18-8-10-20(11-9-18)26-15-19-16-27-22-5-3-2-4-21(19)22/h2-16,27,29H,1H3/b12-6?,26-15+
InChIKeyZWHIRVUMDSIUBU-GDOWTDJYSA-N
XLogP5.53
TPSA74.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one 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)-3-(4-ethoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one
CID 136798732
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 6266711
(E)-1-(4-fluorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 8856159
3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3122026
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 78873903
2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid
CID 139080072
(E)-1-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 39381962
(2S)-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 7097584
2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoylamino]-3-(1H-indol-3-yl)propanoic acid
CID 74346577
benzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 174791707
(E)-1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 24895134
3-hydroxy-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-10H-acridin-9-one
CID 101038953

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one?
The IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one (CID 3021328) is 3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one.
What is the SMILES notation for 3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one?
The canonical SMILES for 3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one is COc1cc(C=CC(=O)c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one?
The InChIKey is ZWHIRVUMDSIUBU-GDOWTDJYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-30-25-14-17(7-13-24(25)29)6-12-23(28)18-8-10-20(11-9-18)26-15-19-16-27-22-5-3-2-4-21(19)22/h2-16,27,29H,1H3/b12-6?,26-15+.
What are the key properties of 3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one?
3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one has a molecular weight of 396.45 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one is sourced from PubChem (CID 3021328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).