9-methoxy-4a,8a-dihydrofuro[3,2-g]chromen-7-one

C12H10O4 — CID 91309869

IUPAC9-methoxy-4a,8a-dihydrofuro[3,2-g]chromen-7-one
SMILESCOC1=c2occc2=CC2C=CC(=O)OC12
InChIInChI=1S/C12H10O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-7,11H,1H3
InChIKeyQILRDKYAXQGHIJ-UHFFFAOYSA-N
MW218.21 g/mol
LogP-0.07
Rot. Bonds1

About 9-methoxy-4a,8a-dihydrofuro[3,2-g]chromen-7-one

9-methoxy-4a,8a-dihydrofuro[3,2-g]chromen-7-one (PubChem CID 91309869) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 9-methoxy-4a,8a-dihydrofuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name9-methoxy-4a,8a-dihydrofuro[3,2-g]chromen-7-one
PubChem CID91309869
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name9-methoxy-4a,8a-dihydrofuro[3,2-g]chromen-7-one
SMILESCOC1=c2occc2=CC2C=CC(=O)OC12
InChIInChI=1S/C12H10O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-7,11H,1H3
InChIKeyQILRDKYAXQGHIJ-UHFFFAOYSA-N
XLogP-0.07
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-4a,8a-dihydrofuro[3,2-g]chromen-7-one?
The IUPAC name of 9-methoxy-4a,8a-dihydrofuro[3,2-g]chromen-7-one (CID 91309869) is 9-methoxy-4a,8a-dihydrofuro[3,2-g]chromen-7-one.
What is the SMILES notation for 9-methoxy-4a,8a-dihydrofuro[3,2-g]chromen-7-one?
The canonical SMILES for 9-methoxy-4a,8a-dihydrofuro[3,2-g]chromen-7-one is COC1=c2occc2=CC2C=CC(=O)OC12.
What is the InChIKey of 9-methoxy-4a,8a-dihydrofuro[3,2-g]chromen-7-one?
The InChIKey is QILRDKYAXQGHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-7,11H,1H3.
What are the key properties of 9-methoxy-4a,8a-dihydrofuro[3,2-g]chromen-7-one?
9-methoxy-4a,8a-dihydrofuro[3,2-g]chromen-7-one has a molecular weight of 218.21 g/mol, XLogP of -0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-4a,8a-dihydrofuro[3,2-g]chromen-7-one is sourced from PubChem (CID 91309869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).