8-benzyl-4-methyl-9-phenylfuro[2,3-h]chromen-2-one

C25H18O3 — CID 44600695

IUPAC8-benzyl-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(Cc3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C25H18O3/c1-16-14-22(26)28-25-19(16)12-13-20-24(25)23(18-10-6-3-7-11-18)21(27-20)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3
InChIKeyZMVFEDJLYQNDEK-UHFFFAOYSA-N
MW366.42 g/mol
LogP6.11
Rot. Bonds3

About 8-benzyl-4-methyl-9-phenylfuro[2,3-h]chromen-2-one

8-benzyl-4-methyl-9-phenylfuro[2,3-h]chromen-2-one (PubChem CID 44600695) has the molecular formula C25H18O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 8-benzyl-4-methyl-9-phenylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name8-benzyl-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
PubChem CID44600695
Molecular FormulaC25H18O3
Molecular Weight366.42 g/mol
Exact Mass366.13
IUPAC Name8-benzyl-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(Cc3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C25H18O3/c1-16-14-22(26)28-25-19(16)12-13-20-24(25)23(18-10-6-3-7-11-18)21(27-20)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3
InChIKeyZMVFEDJLYQNDEK-UHFFFAOYSA-N
XLogP6.11
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The IUPAC name of 8-benzyl-4-methyl-9-phenylfuro[2,3-h]chromen-2-one (CID 44600695) is 8-benzyl-4-methyl-9-phenylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 8-benzyl-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 8-benzyl-4-methyl-9-phenylfuro[2,3-h]chromen-2-one is Cc1cc(=O)oc2c1ccc1oc(Cc3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 8-benzyl-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The InChIKey is ZMVFEDJLYQNDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O3/c1-16-14-22(26)28-25-19(16)12-13-20-24(25)23(18-10-6-3-7-11-18)21(27-20)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3.
What are the key properties of 8-benzyl-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
8-benzyl-4-methyl-9-phenylfuro[2,3-h]chromen-2-one has a molecular weight of 366.42 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-4-methyl-9-phenylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 44600695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).