6-methoxy-2,3,5,6-tetrahydrofuro[3,2-g]chromen-7-one

C12H12O4 — CID 57109918

IUPAC6-methoxy-2,3,5,6-tetrahydrofuro[3,2-g]chromen-7-one
SMILESCOC1Cc2cc3c(cc2OC1=O)OCC3
InChIInChI=1S/C12H12O4/c1-14-11-5-8-4-7-2-3-15-9(7)6-10(8)16-12(11)13/h4,6,11H,2-3,5H2,1H3
InChIKeyARFFEVFSCUNLSK-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.10
Rot. Bonds1

About 6-methoxy-2,3,5,6-tetrahydrofuro[3,2-g]chromen-7-one

6-methoxy-2,3,5,6-tetrahydrofuro[3,2-g]chromen-7-one (PubChem CID 57109918) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 6-methoxy-2,3,5,6-tetrahydrofuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name6-methoxy-2,3,5,6-tetrahydrofuro[3,2-g]chromen-7-one
PubChem CID57109918
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name6-methoxy-2,3,5,6-tetrahydrofuro[3,2-g]chromen-7-one
SMILESCOC1Cc2cc3c(cc2OC1=O)OCC3
InChIInChI=1S/C12H12O4/c1-14-11-5-8-4-7-2-3-15-9(7)6-10(8)16-12(11)13/h4,6,11H,2-3,5H2,1H3
InChIKeyARFFEVFSCUNLSK-UHFFFAOYSA-N
XLogP1.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

3,5,6,7-tetrahydro-2H-furo[3,2-h][1]benzoxepin-8-one
CID 609166
6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine
CID 19845341
5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 10953886
3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione
CID 612770
3,4,6,7,8,9-hexahydro-2H-pyrano[3,2-h][1]benzoxepine
CID 609172
8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline
CID 83376428
methyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate
CID 105475567
3-cyclopropyl-3-(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propanoic acid
CID 117410129
N-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine
CID 104871540
(1S)-16,19-dimethoxy-5-oxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaene
CID 71109798
2,3,7,8,9,10-hexahydropyrano[2,3-h][1]benzoxepin-4-one
CID 165353041
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine
CID 51178722

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3,5,6-tetrahydrofuro[3,2-g]chromen-7-one?
The IUPAC name of 6-methoxy-2,3,5,6-tetrahydrofuro[3,2-g]chromen-7-one (CID 57109918) is 6-methoxy-2,3,5,6-tetrahydrofuro[3,2-g]chromen-7-one.
What is the SMILES notation for 6-methoxy-2,3,5,6-tetrahydrofuro[3,2-g]chromen-7-one?
The canonical SMILES for 6-methoxy-2,3,5,6-tetrahydrofuro[3,2-g]chromen-7-one is COC1Cc2cc3c(cc2OC1=O)OCC3.
What is the InChIKey of 6-methoxy-2,3,5,6-tetrahydrofuro[3,2-g]chromen-7-one?
The InChIKey is ARFFEVFSCUNLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-14-11-5-8-4-7-2-3-15-9(7)6-10(8)16-12(11)13/h4,6,11H,2-3,5H2,1H3.
What are the key properties of 6-methoxy-2,3,5,6-tetrahydrofuro[3,2-g]chromen-7-one?
6-methoxy-2,3,5,6-tetrahydrofuro[3,2-g]chromen-7-one has a molecular weight of 220.22 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3,5,6-tetrahydrofuro[3,2-g]chromen-7-one is sourced from PubChem (CID 57109918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).