2,6,7,8-tetrahydrochromen-5-one

C9H10O2 — CID 141240290

IUPAC2,6,7,8-tetrahydrochromen-5-one
SMILESO=C1CCCC2=C1C=CCO2
InChIInChI=1S/C9H10O2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h2-3H,1,4-6H2
InChIKeyBKJUQXJOJMTLQM-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.58
Rot. Bonds

About 2,6,7,8-tetrahydrochromen-5-one

2,6,7,8-tetrahydrochromen-5-one (PubChem CID 141240290) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2,6,7,8-tetrahydrochromen-5-one.

Molecular Properties

Compound Name2,6,7,8-tetrahydrochromen-5-one
PubChem CID141240290
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2,6,7,8-tetrahydrochromen-5-one
SMILESO=C1CCCC2=C1C=CCO2
InChIInChI=1S/C9H10O2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h2-3H,1,4-6H2
InChIKeyBKJUQXJOJMTLQM-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6,7,8-tetrahydrochromen-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6,7,8-tetrahydrochromen-5-one?
The IUPAC name of 2,6,7,8-tetrahydrochromen-5-one (CID 141240290) is 2,6,7,8-tetrahydrochromen-5-one.
What is the SMILES notation for 2,6,7,8-tetrahydrochromen-5-one?
The canonical SMILES for 2,6,7,8-tetrahydrochromen-5-one is O=C1CCCC2=C1C=CCO2.
What is the InChIKey of 2,6,7,8-tetrahydrochromen-5-one?
The InChIKey is BKJUQXJOJMTLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h2-3H,1,4-6H2.
What are the key properties of 2,6,7,8-tetrahydrochromen-5-one?
2,6,7,8-tetrahydrochromen-5-one has a molecular weight of 150.18 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7,8-tetrahydrochromen-5-one is sourced from PubChem (CID 141240290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).