Chromone

C9H6O2 — CID 10286

IUPACchromen-4-one
SMILESC1=CC=C2C(=C1)C(=O)C=CO2
InChIInChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
InChIKeyOTAFHZMPRISVEM-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.40
Rot. Bonds

About Chromone

Chromone (PubChem CID 10286) has the molecular formula C9H6O2 and a molecular weight of 146.14 g/mol. Its IUPAC name is chromen-4-one.

Molecular Properties

Compound NameChromone
PubChem CID10286
Molecular FormulaC9H6O2
Molecular Weight146.14 g/mol
Exact Mass146.04
IUPAC Namechromen-4-one
SMILESC1=CC=C2C(=C1)C(=O)C=CO2
InChIInChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
InChIKeyOTAFHZMPRISVEM-UHFFFAOYSA-N
XLogP1.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity196

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Flavonol
CID 11349
Flavanone
CID 10251
Flavone
CID 10680
4'-Methoxyacetophenone
CID 7476
Xanthone
CID 7020
Methyl 2-Methoxybenzoate
CID 61151
6-Methoxyflavone
CID 147157
Isoflavone
CID 72304
2-Methoxybenzoic acid
CID 11370
4'-Methoxychalcone
CID 641818
2-Methoxybenzaldehyde
CID 8658
Chromocarb
CID 2741

Frequently Asked Questions

What is the IUPAC name of Chromone?
The IUPAC name of Chromone (CID 10286) is chromen-4-one.
What is the SMILES notation for Chromone?
The canonical SMILES for Chromone is C1=CC=C2C(=C1)C(=O)C=CO2.
What is the InChIKey of Chromone?
The InChIKey is OTAFHZMPRISVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H.
What are the key properties of Chromone?
Chromone has a molecular weight of 146.14 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Chromone is sourced from PubChem (CID 10286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).