4H-chromen-3-one

C9H8O2 — CID 11137321

IUPAC4H-chromen-3-one
SMILESO=C1COc2ccccc2C1
InChIInChI=1S/C9H8O2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-4H,5-6H2
InChIKeySHHLMGCHMMCOOS-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.19
Rot. Bonds

About 4H-chromen-3-one

4H-chromen-3-one (PubChem CID 11137321) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 4H-chromen-3-one.

Molecular Properties

Compound Name4H-chromen-3-one
PubChem CID11137321
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name4H-chromen-3-one
SMILESO=C1COc2ccccc2C1
InChIInChI=1S/C9H8O2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-4H,5-6H2
InChIKeySHHLMGCHMMCOOS-UHFFFAOYSA-N
XLogP1.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-chromen-3-one?
The IUPAC name of 4H-chromen-3-one (CID 11137321) is 4H-chromen-3-one.
What is the SMILES notation for 4H-chromen-3-one?
The canonical SMILES for 4H-chromen-3-one is O=C1COc2ccccc2C1.
What is the InChIKey of 4H-chromen-3-one?
The InChIKey is SHHLMGCHMMCOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-4H,5-6H2.
What are the key properties of 4H-chromen-3-one?
4H-chromen-3-one has a molecular weight of 148.16 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-chromen-3-one is sourced from PubChem (CID 11137321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).