chromen-4-one

C9H6O2 — CID 10286

IUPACchromen-4-one
SMILESO=c1ccoc2ccccc12
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
LogP1.79
Rot. Bonds

About chromen-4-one

chromen-4-one (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 Namechromen-4-one
PubChem CID10286
Molecular FormulaC9H6O2
Molecular Weight146.14 g/mol
Exact Mass146.04
IUPAC Namechromen-4-one
SMILESO=c1ccoc2ccccc12
InChIInChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
InChIKeyOTAFHZMPRISVEM-UHFFFAOYSA-N
XLogP1.79
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.79
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 chromen-4-one?
The IUPAC name of chromen-4-one (CID 10286) is chromen-4-one.
What is the SMILES notation for chromen-4-one?
The canonical SMILES for chromen-4-one is O=c1ccoc2ccccc12.
What is the InChIKey of chromen-4-one?
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 chromen-4-one?
chromen-4-one has a molecular weight of 146.14 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromen-4-one is sourced from PubChem (CID 10286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).