3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one

C25H16O4 — CID 122379715

IUPAC3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one
SMILESO=C(c1ccccc1)c1c(Cc2ccccc2)oc2c1c(=O)oc1ccccc12
InChIInChI=1S/C25H16O4/c26-23(17-11-5-2-6-12-17)21-20(15-16-9-3-1-4-10-16)28-24-18-13-7-8-14-19(18)29-25(27)22(21)24/h1-14H,15H2
InChIKeyUTVKEYGVCMISMC-UHFFFAOYSA-N
MW380.40 g/mol
LogP5.36
Rot. Bonds4

About 3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one

3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one (PubChem CID 122379715) has the molecular formula C25H16O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one
PubChem CID122379715
Molecular FormulaC25H16O4
Molecular Weight380.40 g/mol
Exact Mass380.10
IUPAC Name3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one
SMILESO=C(c1ccccc1)c1c(Cc2ccccc2)oc2c1c(=O)oc1ccccc12
InChIInChI=1S/C25H16O4/c26-23(17-11-5-2-6-12-17)21-20(15-16-9-3-1-4-10-16)28-24-18-13-7-8-14-19(18)29-25(27)22(21)24/h1-14H,15H2
InChIKeyUTVKEYGVCMISMC-UHFFFAOYSA-N
XLogP5.36
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.40
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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3-benzyl-4-hydroxychromen-2-one;ethane
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N-[4-(benzylamino)-2-oxochromen-3-yl]benzamide
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acetic acid;3-benzyl-4-hydroxychromen-2-one;methane
CID 160553428
CID 172712410
CID 172712410
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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one?
The IUPAC name of 3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one (CID 122379715) is 3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one.
What is the SMILES notation for 3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one?
The canonical SMILES for 3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one is O=C(c1ccccc1)c1c(Cc2ccccc2)oc2c1c(=O)oc1ccccc12.
What is the InChIKey of 3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one?
The InChIKey is UTVKEYGVCMISMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16O4/c26-23(17-11-5-2-6-12-17)21-20(15-16-9-3-1-4-10-16)28-24-18-13-7-8-14-19(18)29-25(27)22(21)24/h1-14H,15H2.
What are the key properties of 3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one?
3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one has a molecular weight of 380.40 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one is sourced from PubChem (CID 122379715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).