6-hydroxy-7-propoxychromen-2-one

C12H12O4 — CID 101030918

IUPAC6-hydroxy-7-propoxychromen-2-one
SMILESCCCOc1cc2oc(=O)ccc2cc1O
InChIInChI=1S/C12H12O4/c1-2-5-15-11-7-10-8(6-9(11)13)3-4-12(14)16-10/h3-4,6-7,13H,2,5H2,1H3
InChIKeyAPHGZNHRHXEFSR-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.29
Rot. Bonds3

About 6-hydroxy-7-propoxychromen-2-one

6-hydroxy-7-propoxychromen-2-one (PubChem CID 101030918) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 6-hydroxy-7-propoxychromen-2-one.

Molecular Properties

Compound Name6-hydroxy-7-propoxychromen-2-one
PubChem CID101030918
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name6-hydroxy-7-propoxychromen-2-one
SMILESCCCOc1cc2oc(=O)ccc2cc1O
InChIInChI=1S/C12H12O4/c1-2-5-15-11-7-10-8(6-9(11)13)3-4-12(14)16-10/h3-4,6-7,13H,2,5H2,1H3
InChIKeyAPHGZNHRHXEFSR-UHFFFAOYSA-N
XLogP2.29
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.29
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

7-ethoxy-6-hydroxychromen-2-one
CID 13031686
6-acetyl-7-propoxychromen-2-one
CID 52940758
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
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
6-hydroxy-7-(1-iodobutan-2-yloxy)chromen-2-one
CID 86272802
6,7-dihydroxychromen-2-one;phosphane
CID 175526881
6-hydroxy-7-(5-imidazol-1-ylpentoxy)chromen-2-one
CID 167313317
6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one
CID 71318720
7-butoxy-2-oxochromene-6-carbaldehyde
CID 88582324

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-propoxychromen-2-one?
The IUPAC name of 6-hydroxy-7-propoxychromen-2-one (CID 101030918) is 6-hydroxy-7-propoxychromen-2-one.
What is the SMILES notation for 6-hydroxy-7-propoxychromen-2-one?
The canonical SMILES for 6-hydroxy-7-propoxychromen-2-one is CCCOc1cc2oc(=O)ccc2cc1O.
What is the InChIKey of 6-hydroxy-7-propoxychromen-2-one?
The InChIKey is APHGZNHRHXEFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-2-5-15-11-7-10-8(6-9(11)13)3-4-12(14)16-10/h3-4,6-7,13H,2,5H2,1H3.
What are the key properties of 6-hydroxy-7-propoxychromen-2-one?
6-hydroxy-7-propoxychromen-2-one has a molecular weight of 220.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-propoxychromen-2-one is sourced from PubChem (CID 101030918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).