3-hydroxychromen-2-one

C9H6O3 — CID 13650

IUPAC3-hydroxychromen-2-one
SMILESO=c1oc2ccccc2cc1O
InChIInChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
InChIKeyMJKVTPMWOKAVMS-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.50
Rot. Bonds

About 3-hydroxychromen-2-one

3-hydroxychromen-2-one (PubChem CID 13650) has the molecular formula C9H6O3 and a molecular weight of 162.14 g/mol. Its IUPAC name is 3-hydroxychromen-2-one.

Molecular Properties

Compound Name3-hydroxychromen-2-one
PubChem CID13650
Molecular FormulaC9H6O3
Molecular Weight162.14 g/mol
Exact Mass162.03
IUPAC Name3-hydroxychromen-2-one
SMILESO=c1oc2ccccc2cc1O
InChIInChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
InChIKeyMJKVTPMWOKAVMS-UHFFFAOYSA-N
XLogP1.50
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxychromen-2-one?
The IUPAC name of 3-hydroxychromen-2-one (CID 13650) is 3-hydroxychromen-2-one.
What is the SMILES notation for 3-hydroxychromen-2-one?
The canonical SMILES for 3-hydroxychromen-2-one is O=c1oc2ccccc2cc1O.
What is the InChIKey of 3-hydroxychromen-2-one?
The InChIKey is MJKVTPMWOKAVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H.
What are the key properties of 3-hydroxychromen-2-one?
3-hydroxychromen-2-one has a molecular weight of 162.14 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxychromen-2-one is sourced from PubChem (CID 13650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).