7-ethoxy-6-hydroxychromen-2-one

C11H10O4 — CID 13031686

IUPAC7-ethoxy-6-hydroxychromen-2-one
SMILESCCOc1cc2oc(=O)ccc2cc1O
InChIInChI=1S/C11H10O4/c1-2-14-10-6-9-7(5-8(10)12)3-4-11(13)15-9/h3-6,12H,2H2,1H3
InChIKeyOCCRKOWLAVGGOA-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.90
Rot. Bonds2

About 7-ethoxy-6-hydroxychromen-2-one

7-ethoxy-6-hydroxychromen-2-one (PubChem CID 13031686) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 7-ethoxy-6-hydroxychromen-2-one.

Molecular Properties

Compound Name7-ethoxy-6-hydroxychromen-2-one
PubChem CID13031686
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name7-ethoxy-6-hydroxychromen-2-one
SMILESCCOc1cc2oc(=O)ccc2cc1O
InChIInChI=1S/C11H10O4/c1-2-14-10-6-9-7(5-8(10)12)3-4-11(13)15-9/h3-6,12H,2H2,1H3
InChIKeyOCCRKOWLAVGGOA-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-7-propoxychromen-2-one
CID 101030918
7-(2-bromobutoxy)-6-hydroxychromen-2-one
CID 86272571
7-(2-fluoro-2-methylpropoxy)-6-hydroxychromen-2-one
CID 86273030
6-hydroxy-7-[(E)-4-hydroxy-3-methylbut-2-enoxy]chromen-2-one
CID 102187242
6,7-dihydroxychromen-2-one
CID 5281416
6-hydroxy-7-(1-iodobutan-2-yloxy)chromen-2-one
CID 86272802
6,7-dihydroxychromen-2-one;phosphane
CID 175526881
7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one
CID 158863716
6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one
CID 71318720
2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one
CID 160954791
6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
CID 163189235
7-hydroxy-6-(2-hydroxyphenoxy)chromen-2-one
CID 163056990

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-6-hydroxychromen-2-one?
The IUPAC name of 7-ethoxy-6-hydroxychromen-2-one (CID 13031686) is 7-ethoxy-6-hydroxychromen-2-one.
What is the SMILES notation for 7-ethoxy-6-hydroxychromen-2-one?
The canonical SMILES for 7-ethoxy-6-hydroxychromen-2-one is CCOc1cc2oc(=O)ccc2cc1O.
What is the InChIKey of 7-ethoxy-6-hydroxychromen-2-one?
The InChIKey is OCCRKOWLAVGGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-2-14-10-6-9-7(5-8(10)12)3-4-11(13)15-9/h3-6,12H,2H2,1H3.
What are the key properties of 7-ethoxy-6-hydroxychromen-2-one?
7-ethoxy-6-hydroxychromen-2-one has a molecular weight of 206.20 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-6-hydroxychromen-2-one is sourced from PubChem (CID 13031686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).