3,8-dimethoxy-2,3-dihydrochromen-4-one

C11H12O4 — CID 130039338

IUPAC3,8-dimethoxy-2,3-dihydrochromen-4-one
SMILESCOc1cccc2c1OCC(OC)C2=O
InChIInChI=1S/C11H12O4/c1-13-8-5-3-4-7-10(12)9(14-2)6-15-11(7)8/h3-5,9H,6H2,1-2H3
InChIKeySNBDSUVNGURCFB-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.29
Rot. Bonds2

About 3,8-dimethoxy-2,3-dihydrochromen-4-one

3,8-dimethoxy-2,3-dihydrochromen-4-one (PubChem CID 130039338) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 3,8-dimethoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3,8-dimethoxy-2,3-dihydrochromen-4-one
PubChem CID130039338
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name3,8-dimethoxy-2,3-dihydrochromen-4-one
SMILESCOc1cccc2c1OCC(OC)C2=O
InChIInChI=1S/C11H12O4/c1-13-8-5-3-4-7-10(12)9(14-2)6-15-11(7)8/h3-5,9H,6H2,1-2H3
InChIKeySNBDSUVNGURCFB-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 3,8-dimethoxy-2,3-dihydrochromen-4-one (CID 130039338) is 3,8-dimethoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3,8-dimethoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 3,8-dimethoxy-2,3-dihydrochromen-4-one is COc1cccc2c1OCC(OC)C2=O.
What is the InChIKey of 3,8-dimethoxy-2,3-dihydrochromen-4-one?
The InChIKey is SNBDSUVNGURCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-13-8-5-3-4-7-10(12)9(14-2)6-15-11(7)8/h3-5,9H,6H2,1-2H3.
What are the key properties of 3,8-dimethoxy-2,3-dihydrochromen-4-one?
3,8-dimethoxy-2,3-dihydrochromen-4-one has a molecular weight of 208.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 130039338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).