3,5-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one

C13H12O3 — CID 10751199

IUPAC3,5-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILESCc1cc(=O)oc2cc3c(cc12)C(C)CO3
InChIInChI=1S/C13H12O3/c1-7-3-13(14)16-12-5-11-10(4-9(7)12)8(2)6-15-11/h3-5,8H,6H2,1-2H3
InChIKeyCWRJGLSDXVQPQV-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.60
Rot. Bonds

About 3,5-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one

3,5-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one (PubChem CID 10751199) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3,5-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name3,5-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one
PubChem CID10751199
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name3,5-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILESCc1cc(=O)oc2cc3c(cc12)C(C)CO3
InChIInChI=1S/C13H12O3/c1-7-3-13(14)16-12-5-11-10(4-9(7)12)8(2)6-15-11/h3-5,8H,6H2,1-2H3
InChIKeyCWRJGLSDXVQPQV-UHFFFAOYSA-N
XLogP2.60
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.60
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-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one?
The IUPAC name of 3,5-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one (CID 10751199) is 3,5-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one.
What is the SMILES notation for 3,5-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one?
The canonical SMILES for 3,5-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one is Cc1cc(=O)oc2cc3c(cc12)C(C)CO3.
What is the InChIKey of 3,5-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one?
The InChIKey is CWRJGLSDXVQPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-7-3-13(14)16-12-5-11-10(4-9(7)12)8(2)6-15-11/h3-5,8H,6H2,1-2H3.
What are the key properties of 3,5-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one?
3,5-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one has a molecular weight of 216.24 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one is sourced from PubChem (CID 10751199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).