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

C35H36O5 — CID 58008457

IUPAC8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
SMILESCCCCCCCCCCOc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1
InChIInChI=1S/C35H36O5/c1-3-4-5-6-7-8-9-13-21-38-27-18-14-17-26(23-27)33(37)35-31(25-15-11-10-12-16-25)32-29(39-35)20-19-28-24(2)22-30(36)40-34(28)32/h10-12,14-20,22-23H,3-9,13,21H2,1-2H3
InChIKeyHTSLZSVBAMQYEH-UHFFFAOYSA-N
MW536.67 g/mol
LogP9.27
Rot. Bonds13

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

8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one (PubChem CID 58008457) has the molecular formula C35H36O5 and a molecular weight of 536.67 g/mol. Its IUPAC name is 8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
PubChem CID58008457
Molecular FormulaC35H36O5
Molecular Weight536.67 g/mol
Exact Mass536.26
IUPAC Name8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
SMILESCCCCCCCCCCOc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1
InChIInChI=1S/C35H36O5/c1-3-4-5-6-7-8-9-13-21-38-27-18-14-17-26(23-27)33(37)35-31(25-15-11-10-12-16-25)32-29(39-35)20-19-28-24(2)22-30(36)40-34(28)32/h10-12,14-20,22-23H,3-9,13,21H2,1-2H3
InChIKeyHTSLZSVBAMQYEH-UHFFFAOYSA-N
XLogP9.27
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 59.27
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'}

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Related Compounds

8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44600052
9-(3-bromophenyl)-4-methyl-8-(3-pentoxybenzoyl)furo[2,3-h]chromen-2-one
CID 58008437
8-[3-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44552830
8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44600205
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-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44599241
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
8-[3-[2-[[(5R,7S)-3-hydroxy-1-adamantyl]amino]ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 58008463
(3-hexoxyphenyl)-(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)methanone
CID 70668364

Frequently Asked Questions

What is the IUPAC name of 8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The IUPAC name of 8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one (CID 58008457) is 8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one is CCCCCCCCCCOc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1.
What is the InChIKey of 8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The InChIKey is HTSLZSVBAMQYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36O5/c1-3-4-5-6-7-8-9-13-21-38-27-18-14-17-26(23-27)33(37)35-31(25-15-11-10-12-16-25)32-29(39-35)20-19-28-24(2)22-30(36)40-34(28)32/h10-12,14-20,22-23H,3-9,13,21H2,1-2H3.
What are the key properties of 8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one has a molecular weight of 536.67 g/mol, XLogP of 9.27, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 58008457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).