7-(1-hydroperoxyethyl)chromen-2-one

C11H10O4 — CID 177070769

IUPAC7-(1-hydroperoxyethyl)chromen-2-one
SMILESCC(OO)c1ccc2ccc(=O)oc2c1
InChIInChI=1S/C11H10O4/c1-7(15-13)9-3-2-8-4-5-11(12)14-10(8)6-9/h2-7,13H,1H3
InChIKeyOZIMOHYMSLURKA-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.34
Rot. Bonds2

About 7-(1-hydroperoxyethyl)chromen-2-one

7-(1-hydroperoxyethyl)chromen-2-one (PubChem CID 177070769) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 7-(1-hydroperoxyethyl)chromen-2-one.

Molecular Properties

Compound Name7-(1-hydroperoxyethyl)chromen-2-one
PubChem CID177070769
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name7-(1-hydroperoxyethyl)chromen-2-one
SMILESCC(OO)c1ccc2ccc(=O)oc2c1
InChIInChI=1S/C11H10O4/c1-7(15-13)9-3-2-8-4-5-11(12)14-10(8)6-9/h2-7,13H,1H3
InChIKeyOZIMOHYMSLURKA-UHFFFAOYSA-N
XLogP2.34
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 7-(1-hydroperoxyethyl)chromen-2-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

(4-methylphenyl) 2-(2-oxochromen-7-yl)propanoate
CID 22112647
(2-oxochromen-7-yl) 2-methylpropanoate
CID 10966364
(2-oxochromen-7-yl) (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7920913
7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one
CID 7565097
7-[(4-butan-2-ylphenyl)methyl]chromen-2-one
CID 54134481
7-aminochromen-2-one;(2S)-2-aminopropanoic acid
CID 87395737
7-(5-methylhexan-3-yloxy)chromen-2-one
CID 71536672
6,7-dimethoxychromen-2-one
CID 159563577
7-aminochromen-2-one;ethane
CID 166456004
7-prop-1-ynoxychromen-2-one
CID 125495534
(2-oxochromen-7-yl) (3R)-3-phenylbutanoate
CID 7920875
acetic acid;7-hydroxychromen-2-one
CID 88810969

Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroperoxyethyl)chromen-2-one?
The IUPAC name of 7-(1-hydroperoxyethyl)chromen-2-one (CID 177070769) is 7-(1-hydroperoxyethyl)chromen-2-one.
What is the SMILES notation for 7-(1-hydroperoxyethyl)chromen-2-one?
The canonical SMILES for 7-(1-hydroperoxyethyl)chromen-2-one is CC(OO)c1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-(1-hydroperoxyethyl)chromen-2-one?
The InChIKey is OZIMOHYMSLURKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-7(15-13)9-3-2-8-4-5-11(12)14-10(8)6-9/h2-7,13H,1H3.
What are the key properties of 7-(1-hydroperoxyethyl)chromen-2-one?
7-(1-hydroperoxyethyl)chromen-2-one has a molecular weight of 206.20 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroperoxyethyl)chromen-2-one is sourced from PubChem (CID 177070769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).