4,6,7,8-tetrahydrochromen-5-one

C9H10O2 — CID 14993949

IUPAC4,6,7,8-tetrahydrochromen-5-one
SMILESO=C1CCCC2=C1CC=CO2
InChIInChI=1S/C9H10O2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h2,6H,1,3-5H2
InChIKeyYWJWHUVYAWSKGL-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.93
Rot. Bonds

About 4,6,7,8-tetrahydrochromen-5-one

4,6,7,8-tetrahydrochromen-5-one (PubChem CID 14993949) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 4,6,7,8-tetrahydrochromen-5-one.

Molecular Properties

Compound Name4,6,7,8-tetrahydrochromen-5-one
PubChem CID14993949
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name4,6,7,8-tetrahydrochromen-5-one
SMILESO=C1CCCC2=C1CC=CO2
InChIInChI=1S/C9H10O2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h2,6H,1,3-5H2
InChIKeyYWJWHUVYAWSKGL-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6,7,8-tetrahydrochromen-5-one?
The IUPAC name of 4,6,7,8-tetrahydrochromen-5-one (CID 14993949) is 4,6,7,8-tetrahydrochromen-5-one.
What is the SMILES notation for 4,6,7,8-tetrahydrochromen-5-one?
The canonical SMILES for 4,6,7,8-tetrahydrochromen-5-one is O=C1CCCC2=C1CC=CO2.
What is the InChIKey of 4,6,7,8-tetrahydrochromen-5-one?
The InChIKey is YWJWHUVYAWSKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h2,6H,1,3-5H2.
What are the key properties of 4,6,7,8-tetrahydrochromen-5-one?
4,6,7,8-tetrahydrochromen-5-one has a molecular weight of 150.18 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7,8-tetrahydrochromen-5-one is sourced from PubChem (CID 14993949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).