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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Related Compounds

8-bromo-3-methoxy-2,3-dihydrochromen-4-one
CID 130039350
methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate
CID 10922937
8-methoxy-1,3-benzodioxin-4-one
CID 141355094
(3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one
CID 134962846
3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one
CID 46218586
7-fluoro-3-methoxy-2,3-dihydrochromen-4-one
CID 130039343
8-methoxy-3-methylidenechromen-4-one
CID 82277876
9-methoxy-4-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one
CID 82250923
methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate
CID 22435586
7-methoxy-3,4,4a,5-tetrahydro-2H-chromeno[3,4-b]pyridine;hydrochloride
CID 14450347
N-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 167818858
7-methoxy-2-(methoxymethoxymethyl)-1-benzofuran-3-one
CID 18351832

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).