4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]benzo[h]chromen-2-one

C23H18O4 — CID 155523051

IUPAC4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]benzo[h]chromen-2-one
SMILESCOc1ccc(OC)c(/C=C/c2cc(=O)oc3c2ccc2ccccc23)c1
InChIInChI=1S/C23H18O4/c1-25-18-10-12-21(26-2)17(13-18)8-7-16-14-22(24)27-23-19-6-4-3-5-15(19)9-11-20(16)23/h3-14H,1-2H3/b8-7+
InChIKeySEGVYLMPLUEUTL-BQYQJAHWSA-N
MW358.39 g/mol
LogP5.13
Rot. Bonds4

About 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]benzo[h]chromen-2-one

4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]benzo[h]chromen-2-one (PubChem CID 155523051) has the molecular formula C23H18O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]benzo[h]chromen-2-one.

Molecular Properties

Compound Name4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]benzo[h]chromen-2-one
PubChem CID155523051
Molecular FormulaC23H18O4
Molecular Weight358.39 g/mol
Exact Mass358.12
IUPAC Name4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]benzo[h]chromen-2-one
SMILESCOc1ccc(OC)c(/C=C/c2cc(=O)oc3c2ccc2ccccc23)c1
InChIInChI=1S/C23H18O4/c1-25-18-10-12-21(26-2)17(13-18)8-7-16-14-22(24)27-23-19-6-4-3-5-15(19)9-11-20(16)23/h3-14H,1-2H3/b8-7+
InChIKeySEGVYLMPLUEUTL-BQYQJAHWSA-N
XLogP5.13
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-(2,5-dimethoxyphenyl)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

2-oxobenzo[h]chromene-4-carbaldehyde
CID 11989493
(3-oxobenzo[f]chromen-1-yl)methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 2482009
1-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-2-methylisoquinolin-2-ium
CID 54607264
4-[(Z)-4-chrysen-1-ylbut-1-enyl]-7-methoxychromen-2-one
CID 144983859
7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one
CID 46887465
4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one
CID 155557580
(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one
CID 1355944
2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
CID 92967429
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one
CID 46845156
(4-methyl-2-oxochromen-7-yl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 1181224
8-methoxynaphtho[1,2-c]chromen-5-one
CID 118617567
4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one
CID 15092135

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]benzo[h]chromen-2-one?
The IUPAC name of 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]benzo[h]chromen-2-one (CID 155523051) is 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]benzo[h]chromen-2-one.
What is the SMILES notation for 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]benzo[h]chromen-2-one?
The canonical SMILES for 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]benzo[h]chromen-2-one is COc1ccc(OC)c(/C=C/c2cc(=O)oc3c2ccc2ccccc23)c1.
What is the InChIKey of 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]benzo[h]chromen-2-one?
The InChIKey is SEGVYLMPLUEUTL-BQYQJAHWSA-N. The full InChI is InChI=1S/C23H18O4/c1-25-18-10-12-21(26-2)17(13-18)8-7-16-14-22(24)27-23-19-6-4-3-5-15(19)9-11-20(16)23/h3-14H,1-2H3/b8-7+.
What are the key properties of 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]benzo[h]chromen-2-one?
4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]benzo[h]chromen-2-one has a molecular weight of 358.39 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]benzo[h]chromen-2-one is sourced from PubChem (CID 155523051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).