7-hydroxy-8-prop-2-enylchromen-4-one

C12H10O3 — CID 12693798

IUPAC7-hydroxy-8-prop-2-enylchromen-4-one
SMILESC=CCc1c(O)ccc2c(=O)ccoc12
InChIInChI=1S/C12H10O3/c1-2-3-8-10(13)5-4-9-11(14)6-7-15-12(8)9/h2,4-7,13H,1,3H2
InChIKeyAUIJHNQRDUIWFR-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.23
Rot. Bonds2

About 7-hydroxy-8-prop-2-enylchromen-4-one

7-hydroxy-8-prop-2-enylchromen-4-one (PubChem CID 12693798) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 7-hydroxy-8-prop-2-enylchromen-4-one.

Molecular Properties

Compound Name7-hydroxy-8-prop-2-enylchromen-4-one
PubChem CID12693798
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name7-hydroxy-8-prop-2-enylchromen-4-one
SMILESC=CCc1c(O)ccc2c(=O)ccoc12
InChIInChI=1S/C12H10O3/c1-2-3-8-10(13)5-4-9-11(14)6-7-15-12(8)9/h2,4-7,13H,1,3H2
InChIKeyAUIJHNQRDUIWFR-UHFFFAOYSA-N
XLogP2.23
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-prop-2-enylchromen-4-one?
The IUPAC name of 7-hydroxy-8-prop-2-enylchromen-4-one (CID 12693798) is 7-hydroxy-8-prop-2-enylchromen-4-one.
What is the SMILES notation for 7-hydroxy-8-prop-2-enylchromen-4-one?
The canonical SMILES for 7-hydroxy-8-prop-2-enylchromen-4-one is C=CCc1c(O)ccc2c(=O)ccoc12.
What is the InChIKey of 7-hydroxy-8-prop-2-enylchromen-4-one?
The InChIKey is AUIJHNQRDUIWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-2-3-8-10(13)5-4-9-11(14)6-7-15-12(8)9/h2,4-7,13H,1,3H2.
What are the key properties of 7-hydroxy-8-prop-2-enylchromen-4-one?
7-hydroxy-8-prop-2-enylchromen-4-one has a molecular weight of 202.21 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-prop-2-enylchromen-4-one is sourced from PubChem (CID 12693798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).