3-methylfuro[3,2-g]chromen-7-one

C12H8O3 — CID 608273

IUPAC3-methylfuro[3,2-g]chromen-7-one
SMILESCc1coc2cc3oc(=O)ccc3cc12
InChIInChI=1S/C12H8O3/c1-7-6-14-11-5-10-8(4-9(7)11)2-3-12(13)15-10/h2-6H,1H3
InChIKeyNHIJIVPEMQAWBA-UHFFFAOYSA-N
MW200.19 g/mol
LogP2.85
Rot. Bonds

About 3-methylfuro[3,2-g]chromen-7-one

3-methylfuro[3,2-g]chromen-7-one (PubChem CID 608273) has the molecular formula C12H8O3 and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-methylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name3-methylfuro[3,2-g]chromen-7-one
PubChem CID608273
Molecular FormulaC12H8O3
Molecular Weight200.19 g/mol
Exact Mass200.05
IUPAC Name3-methylfuro[3,2-g]chromen-7-one
SMILESCc1coc2cc3oc(=O)ccc3cc12
InChIInChI=1S/C12H8O3/c1-7-6-14-11-5-10-8(4-9(7)11)2-3-12(13)15-10/h2-6H,1H3
InChIKeyNHIJIVPEMQAWBA-UHFFFAOYSA-N
XLogP2.85
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 52.85
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 3-methylfuro[3,2-g]chromen-7-one?
The IUPAC name of 3-methylfuro[3,2-g]chromen-7-one (CID 608273) is 3-methylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 3-methylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 3-methylfuro[3,2-g]chromen-7-one is Cc1coc2cc3oc(=O)ccc3cc12.
What is the InChIKey of 3-methylfuro[3,2-g]chromen-7-one?
The InChIKey is NHIJIVPEMQAWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3/c1-7-6-14-11-5-10-8(4-9(7)11)2-3-12(13)15-10/h2-6H,1H3.
What are the key properties of 3-methylfuro[3,2-g]chromen-7-one?
3-methylfuro[3,2-g]chromen-7-one has a molecular weight of 200.19 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 608273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).