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

C26H18O4 — CID 44554561

IUPAC4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one
SMILESCc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1
InChIInChI=1S/C26H18O4/c1-15-7-6-10-18(13-15)24(28)26-22(17-8-4-3-5-9-17)23-20(29-26)12-11-19-16(2)14-21(27)30-25(19)23/h3-14H,1-2H3
InChIKeySEJIBHCWBLBNGF-UHFFFAOYSA-N
MW394.43 g/mol
LogP6.05
Rot. Bonds3

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

4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one (PubChem CID 44554561) has the molecular formula C26H18O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one
PubChem CID44554561
Molecular FormulaC26H18O4
Molecular Weight394.43 g/mol
Exact Mass394.12
IUPAC Name4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one
SMILESCc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1
InChIInChI=1S/C26H18O4/c1-15-7-6-10-18(13-15)24(28)26-22(17-8-4-3-5-9-17)23-20(29-26)12-11-19-16(2)14-21(27)30-25(19)23/h3-14H,1-2H3
InChIKeySEJIBHCWBLBNGF-UHFFFAOYSA-N
XLogP6.05
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one?
The IUPAC name of 4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one (CID 44554561) is 4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one is Cc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1.
What is the InChIKey of 4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one?
The InChIKey is SEJIBHCWBLBNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O4/c1-15-7-6-10-18(13-15)24(28)26-22(17-8-4-3-5-9-17)23-20(29-26)12-11-19-16(2)14-21(27)30-25(19)23/h3-14H,1-2H3.
What are the key properties of 4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one?
4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one has a molecular weight of 394.43 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 44554561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).