2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione

C15H12O5 — CID 14861205

IUPAC2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione
SMILESCOc1cccc2c1C(=O)c1oc(C(C)O)cc1C2=O
InChIInChI=1S/C15H12O5/c1-7(16)11-6-9-13(17)8-4-3-5-10(19-2)12(8)14(18)15(9)20-11/h3-7,16H,1-2H3
InChIKeyFNTNBRDMWJABMO-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.12
Rot. Bonds2

About 2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione

2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione (PubChem CID 14861205) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione
PubChem CID14861205
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione
SMILESCOc1cccc2c1C(=O)c1oc(C(C)O)cc1C2=O
InChIInChI=1S/C15H12O5/c1-7(16)11-6-9-13(17)8-4-3-5-10(19-2)12(8)14(18)15(9)20-11/h3-7,16H,1-2H3
InChIKeyFNTNBRDMWJABMO-UHFFFAOYSA-N
XLogP2.12
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione 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

1,5-dimethoxyfluoren-9-one
CID 19594782
1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione
CID 11300971
9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione
CID 164617601
5-methoxy-9,10-dioxoanthracene-2-carbaldehyde
CID 95931045
5-methoxy-9,10-dioxoanthracene-2-carboxamide
CID 169240451
methyl (9-oxofluoren-4-yl) carbonate
CID 67416838
5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione
CID 633617
11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione
CID 10471228
dimethyl 5-methoxy-1,4-dioxonaphthalene-2,3-dicarboxylate
CID 10470278
4-hydroxy-8-methoxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione
CID 71443358
5-hydroxy-2-[hydroxy(phenyl)methyl]benzo[f][1]benzofuran-4,9-dione
CID 154674970
9-hydroxy-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1,6,8,11(19),13(18),14,16-heptaen-12-one
CID 135809749

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione?
The IUPAC name of 2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione (CID 14861205) is 2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for 2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for 2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione is COc1cccc2c1C(=O)c1oc(C(C)O)cc1C2=O.
What is the InChIKey of 2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione?
The InChIKey is FNTNBRDMWJABMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-7(16)11-6-9-13(17)8-4-3-5-10(19-2)12(8)14(18)15(9)20-11/h3-7,16H,1-2H3.
What are the key properties of 2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione?
2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione has a molecular weight of 272.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 14861205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).