4-[(E)-2-(3-methoxyphenyl)ethenyl]benzo[h]chromen-2-one

C22H16O3 — CID 155533561

IUPAC4-[(E)-2-(3-methoxyphenyl)ethenyl]benzo[h]chromen-2-one
SMILESCOc1cccc(/C=C/c2cc(=O)oc3c2ccc2ccccc23)c1
InChIInChI=1S/C22H16O3/c1-24-18-7-4-5-15(13-18)9-10-17-14-21(23)25-22-19-8-3-2-6-16(19)11-12-20(17)22/h2-14H,1H3/b10-9+
InChIKeyJNHIUHTXQVYYLL-MDZDMXLPSA-N
MW328.37 g/mol
LogP5.13
Rot. Bonds3

About 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzo[h]chromen-2-one

4-[(E)-2-(3-methoxyphenyl)ethenyl]benzo[h]chromen-2-one (PubChem CID 155533561) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzo[h]chromen-2-one.

Molecular Properties

Compound Name4-[(E)-2-(3-methoxyphenyl)ethenyl]benzo[h]chromen-2-one
PubChem CID155533561
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name4-[(E)-2-(3-methoxyphenyl)ethenyl]benzo[h]chromen-2-one
SMILESCOc1cccc(/C=C/c2cc(=O)oc3c2ccc2ccccc23)c1
InChIInChI=1S/C22H16O3/c1-24-18-7-4-5-15(13-18)9-10-17-14-21(23)25-22-19-8-3-2-6-16(19)11-12-20(17)22/h2-14H,1H3/b10-9+
InChIKeyJNHIUHTXQVYYLL-MDZDMXLPSA-N
XLogP5.13
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzo[h]chromen-2-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

Etretinate
CID 5282375
Acetomenaphthone
CID 11310
Ethyl 3-oxo-3H-naphtho(2,1-b)pyran-2-carboxylate
CID 69774
1,4-Dimethoxyanthracene
CID 83107
1-Naphthyl acetate
CID 13247
Uvi 3003
CID 44566108
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
2-Naphthyl acetate
CID 73709
4-Methyl-2H-benzo[h]chromen-2-one
CID 602862
Benzo(kl)xanthene
CID 67456
3,6-Dimethoxyphenanthren-4-yl acetate
CID 273034
1,4-Diacetoxynaphthalene
CID 79775

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzo[h]chromen-2-one?
The IUPAC name of 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzo[h]chromen-2-one (CID 155533561) is 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzo[h]chromen-2-one.
What is the SMILES notation for 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzo[h]chromen-2-one?
The canonical SMILES for 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzo[h]chromen-2-one is COc1cccc(/C=C/c2cc(=O)oc3c2ccc2ccccc23)c1.
What is the InChIKey of 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzo[h]chromen-2-one?
The InChIKey is JNHIUHTXQVYYLL-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H16O3/c1-24-18-7-4-5-15(13-18)9-10-17-14-21(23)25-22-19-8-3-2-6-16(19)11-12-20(17)22/h2-14H,1H3/b10-9+.
What are the key properties of 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzo[h]chromen-2-one?
4-[(E)-2-(3-methoxyphenyl)ethenyl]benzo[h]chromen-2-one has a molecular weight of 328.37 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-methoxyphenyl)ethenyl]benzo[h]chromen-2-one is sourced from PubChem (CID 155533561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).