3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one

C17H12O6 — CID 73387965

IUPAC3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESCCOc1ccc2c(c1)oc(=O)c1c3cc(O)c(O)cc3oc21
InChIInChI=1S/C17H12O6/c1-2-21-8-3-4-9-13(5-8)23-17(20)15-10-6-11(18)12(19)7-14(10)22-16(9)15/h3-7,18-19H,2H2,1H3
InChIKeyDRPJWNOENCGJMD-UHFFFAOYSA-N
MW312.28 g/mol
LogP3.50
Rot. Bonds2

About 3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one

3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one (PubChem CID 73387965) has the molecular formula C17H12O6 and a molecular weight of 312.28 g/mol. Its IUPAC name is 3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one.

Molecular Properties

Compound Name3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
PubChem CID73387965
Molecular FormulaC17H12O6
Molecular Weight312.28 g/mol
Exact Mass312.06
IUPAC Name3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESCCOc1ccc2c(c1)oc(=O)c1c3cc(O)c(O)cc3oc21
InChIInChI=1S/C17H12O6/c1-2-21-8-3-4-9-13(5-8)23-17(20)15-10-6-11(18)12(19)7-14(10)22-16(9)15/h3-7,18-19H,2H2,1H3
InChIKeyDRPJWNOENCGJMD-UHFFFAOYSA-N
XLogP3.50
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 131750884
7-ethoxy-4-methyl-2-oxochromene-3-carboxylic acid
CID 102547088
(8,9-diacetyloxy-6-oxo-[1]benzofuro[3,2-c]chromen-3-yl) acetate;hydrobromide
CID 90484364
7-ethoxy-4-methyl-3-[(Z)-prop-1-enyl]chromen-2-one
CID 163502914
7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one
CID 5038923
7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one
CID 54730071
4-(chloromethyl)-7-ethoxychromen-2-one
CID 71339287
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide
CID 770841
4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 162868360
7-ethoxy-4-phenylchromen-2-one
CID 678937
9-(4-ethoxyphenyl)-2,6,7-trihydroxyxanthen-3-one
CID 2931798
7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
CID 139788868

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one?
The IUPAC name of 3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one (CID 73387965) is 3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one.
What is the SMILES notation for 3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one?
The canonical SMILES for 3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one is CCOc1ccc2c(c1)oc(=O)c1c3cc(O)c(O)cc3oc21.
What is the InChIKey of 3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one?
The InChIKey is DRPJWNOENCGJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O6/c1-2-21-8-3-4-9-13(5-8)23-17(20)15-10-6-11(18)12(19)7-14(10)22-16(9)15/h3-7,18-19H,2H2,1H3.
What are the key properties of 3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one?
3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one has a molecular weight of 312.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one is sourced from PubChem (CID 73387965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).