2,5,9-trimethylfuro[3,2-g]chromen-7-one

C14H12O3 — CID 5585

IUPAC2,5,9-trimethylfuro[3,2-g]chromen-7-one
SMILESCc1cc2cc3c(C)cc(=O)oc3c(C)c2o1
InChIInChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3
InChIKeyFMHHVULEAZTJMA-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.46
Rot. Bonds

About 2,5,9-trimethylfuro[3,2-g]chromen-7-one

2,5,9-trimethylfuro[3,2-g]chromen-7-one (PubChem CID 5585) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2,5,9-trimethylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name2,5,9-trimethylfuro[3,2-g]chromen-7-one
PubChem CID5585
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name2,5,9-trimethylfuro[3,2-g]chromen-7-one
SMILESCc1cc2cc3c(C)cc(=O)oc3c(C)c2o1
InChIInChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3
InChIKeyFMHHVULEAZTJMA-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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Related Compounds

8-Methoxypsoralen
CID 4114
Bergapten
CID 2355
Psoralen
CID 6199
Imperatorin
CID 10212
Isopsoralen
CID 10658
Isoimperatorin
CID 68081
Isopimpinellin
CID 68079
Coumestrol
CID 5281707
Sphondin
CID 108104
Pimpinellin
CID 4825
Phellopterin
CID 98608
Isobergapten
CID 68082

Frequently Asked Questions

What is the IUPAC name of 2,5,9-trimethylfuro[3,2-g]chromen-7-one?
The IUPAC name of 2,5,9-trimethylfuro[3,2-g]chromen-7-one (CID 5585) is 2,5,9-trimethylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 2,5,9-trimethylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 2,5,9-trimethylfuro[3,2-g]chromen-7-one is Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1.
What is the InChIKey of 2,5,9-trimethylfuro[3,2-g]chromen-7-one?
The InChIKey is FMHHVULEAZTJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3.
What are the key properties of 2,5,9-trimethylfuro[3,2-g]chromen-7-one?
2,5,9-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 2,5,9-trimethylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 5585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).