chromen-5-one

C9H6O2 — CID 18782100

IUPACchromen-5-one
SMILESO=c1cccc2occcc1-2
InChIInChI=1S/C9H6O2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H
InChIKeyNJRNRSGIUZYMQH-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.74
Rot. Bonds

About chromen-5-one

chromen-5-one (PubChem CID 18782100) has the molecular formula C9H6O2 and a molecular weight of 146.14 g/mol. Its IUPAC name is chromen-5-one.

Molecular Properties

Compound Namechromen-5-one
PubChem CID18782100
Molecular FormulaC9H6O2
Molecular Weight146.14 g/mol
Exact Mass146.04
IUPAC Namechromen-5-one
SMILESO=c1cccc2occcc1-2
InChIInChI=1S/C9H6O2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H
InChIKeyNJRNRSGIUZYMQH-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of chromen-5-one?
The IUPAC name of chromen-5-one (CID 18782100) is chromen-5-one.
What is the SMILES notation for chromen-5-one?
The canonical SMILES for chromen-5-one is O=c1cccc2occcc1-2.
What is the InChIKey of chromen-5-one?
The InChIKey is NJRNRSGIUZYMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H.
What are the key properties of chromen-5-one?
chromen-5-one has a molecular weight of 146.14 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromen-5-one is sourced from PubChem (CID 18782100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).