8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one

C29H22O5 — CID 44600205

IUPAC8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
SMILESC=CCCOc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1
InChIInChI=1S/C29H22O5/c1-3-4-15-32-21-12-8-11-20(17-21)27(31)29-25(19-9-6-5-7-10-19)26-23(33-29)14-13-22-18(2)16-24(30)34-28(22)26/h3,5-14,16-17H,1,4,15H2,2H3
InChIKeyIHFLQSVTQTVVOX-UHFFFAOYSA-N
MW450.49 g/mol
LogP6.70
Rot. Bonds7

About 8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one

8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one (PubChem CID 44600205) has the molecular formula C29H22O5 and a molecular weight of 450.49 g/mol. Its IUPAC name is 8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
PubChem CID44600205
Molecular FormulaC29H22O5
Molecular Weight450.49 g/mol
Exact Mass450.15
IUPAC Name8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
SMILESC=CCCOc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1
InChIInChI=1S/C29H22O5/c1-3-4-15-32-21-12-8-11-20(17-21)27(31)29-25(19-9-6-5-7-10-19)26-23(33-29)14-13-22-18(2)16-24(30)34-28(22)26/h3,5-14,16-17H,1,4,15H2,2H3
InChIKeyIHFLQSVTQTVVOX-UHFFFAOYSA-N
XLogP6.70
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-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

8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44600052
8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 58008457
8-[3-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44552830
8-[3-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44599241
4-methyl-8-[3-[3-(4-methylpiperazin-1-yl)propoxy]benzoyl]-9-phenylfuro[2,3-h]chromen-2-one
CID 44600371
4-methyl-9-phenyl-8-[3-(3-piperidin-1-ylpropoxy)benzoyl]furo[2,3-h]chromen-2-one
CID 44600368
8-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44599086
4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one
CID 44554561
3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)benzonitrile
CID 44554728
9-(3-bromophenyl)-4-methyl-8-(3-pentoxybenzoyl)furo[2,3-h]chromen-2-one
CID 58008437
8-[3-[2-[[(5R,7S)-3-hydroxy-1-adamantyl]amino]ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 58008463
8-[3-[2-[[(3R,7S)-3-hydroxy-7-tricyclo[5.3.1.03,9]undecanyl]amino]ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 89122805

Frequently Asked Questions

What is the IUPAC name of 8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The IUPAC name of 8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one (CID 44600205) is 8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one is C=CCCOc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1.
What is the InChIKey of 8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The InChIKey is IHFLQSVTQTVVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22O5/c1-3-4-15-32-21-12-8-11-20(17-21)27(31)29-25(19-9-6-5-7-10-19)26-23(33-29)14-13-22-18(2)16-24(30)34-28(22)26/h3,5-14,16-17H,1,4,15H2,2H3.
What are the key properties of 8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one has a molecular weight of 450.49 g/mol, XLogP of 6.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 44600205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).