3,5,6-trimethylfuro[3,2-g]chromen-7-one

C14H12O3 — CID 707705

IUPAC3,5,6-trimethylfuro[3,2-g]chromen-7-one
SMILESCc1c(C)c2cc3c(C)coc3cc2oc1=O
InChIInChI=1S/C14H12O3/c1-7-6-16-12-5-13-11(4-10(7)12)8(2)9(3)14(15)17-13/h4-6H,1-3H3
InChIKeyAKNNLKCBKRCSFS-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.46
Rot. Bonds

About 3,5,6-trimethylfuro[3,2-g]chromen-7-one

3,5,6-trimethylfuro[3,2-g]chromen-7-one (PubChem CID 707705) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3,5,6-trimethylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name3,5,6-trimethylfuro[3,2-g]chromen-7-one
PubChem CID707705
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name3,5,6-trimethylfuro[3,2-g]chromen-7-one
SMILESCc1c(C)c2cc3c(C)coc3cc2oc1=O
InChIInChI=1S/C14H12O3/c1-7-6-16-12-5-13-11(4-10(7)12)8(2)9(3)14(15)17-13/h4-6H,1-3H3
InChIKeyAKNNLKCBKRCSFS-UHFFFAOYSA-N
XLogP3.46
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.46
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 3,5,6-trimethylfuro[3,2-g]chromen-7-one?
The IUPAC name of 3,5,6-trimethylfuro[3,2-g]chromen-7-one (CID 707705) is 3,5,6-trimethylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 3,5,6-trimethylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 3,5,6-trimethylfuro[3,2-g]chromen-7-one is Cc1c(C)c2cc3c(C)coc3cc2oc1=O.
What is the InChIKey of 3,5,6-trimethylfuro[3,2-g]chromen-7-one?
The InChIKey is AKNNLKCBKRCSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-7-6-16-12-5-13-11(4-10(7)12)8(2)9(3)14(15)17-13/h4-6H,1-3H3.
What are the key properties of 3,5,6-trimethylfuro[3,2-g]chromen-7-one?
3,5,6-trimethylfuro[3,2-g]chromen-7-one has a molecular weight of 228.25 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 707705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).