6,7-dimethoxy-4a,8a-dihydrochromen-2-one

C11H12O4 — CID 163040076

IUPAC6,7-dimethoxy-4a,8a-dihydrochromen-2-one
SMILESCOC1=CC2C=CC(=O)OC2C=C1OC
InChIInChI=1S/C11H12O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-8H,1-2H3
InChIKeyLXSMPRAHGIBJFU-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.16
Rot. Bonds2

About 6,7-dimethoxy-4a,8a-dihydrochromen-2-one

6,7-dimethoxy-4a,8a-dihydrochromen-2-one (PubChem CID 163040076) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 6,7-dimethoxy-4a,8a-dihydrochromen-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-4a,8a-dihydrochromen-2-one
PubChem CID163040076
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name6,7-dimethoxy-4a,8a-dihydrochromen-2-one
SMILESCOC1=CC2C=CC(=O)OC2C=C1OC
InChIInChI=1S/C11H12O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-8H,1-2H3
InChIKeyLXSMPRAHGIBJFU-UHFFFAOYSA-N
XLogP1.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4a,8a-dihydrochromen-2-one?
The IUPAC name of 6,7-dimethoxy-4a,8a-dihydrochromen-2-one (CID 163040076) is 6,7-dimethoxy-4a,8a-dihydrochromen-2-one.
What is the SMILES notation for 6,7-dimethoxy-4a,8a-dihydrochromen-2-one?
The canonical SMILES for 6,7-dimethoxy-4a,8a-dihydrochromen-2-one is COC1=CC2C=CC(=O)OC2C=C1OC.
What is the InChIKey of 6,7-dimethoxy-4a,8a-dihydrochromen-2-one?
The InChIKey is LXSMPRAHGIBJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-8H,1-2H3.
What are the key properties of 6,7-dimethoxy-4a,8a-dihydrochromen-2-one?
6,7-dimethoxy-4a,8a-dihydrochromen-2-one has a molecular weight of 208.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4a,8a-dihydrochromen-2-one is sourced from PubChem (CID 163040076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).