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

C9H10O2 — CID 150035896

IUPAC2,5,6,7-tetrahydrochromen-8-one
SMILESO=C1CCCC2=C1OCC=C2
InChIInChI=1S/C9H10O2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h2,4H,1,3,5-6H2
InChIKeyDIFZTVYNJMZPPM-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.58
Rot. Bonds

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

2,5,6,7-tetrahydrochromen-8-one (PubChem CID 150035896) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2,5,6,7-tetrahydrochromen-8-one.

Molecular Properties

Compound Name2,5,6,7-tetrahydrochromen-8-one
PubChem CID150035896
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2,5,6,7-tetrahydrochromen-8-one
SMILESO=C1CCCC2=C1OCC=C2
InChIInChI=1S/C9H10O2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h2,4H,1,3,5-6H2
InChIKeyDIFZTVYNJMZPPM-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 2,5,6,7-tetrahydrochromen-8-one with MolForge

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

Launch Full Analysis

Related Compounds

Chroman-5,6-quinone
CID 23084389
7,8-Dihydro-2h-chromen-5(6h)-one
CID 141240290
7-Fluoro-2,3,5,6-tetrahydrochromen-4-one
CID 140251076
3-(1-Ethoxyvinyl)-2-cyclohexen-1-one
CID 11041079
3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one
CID 11240994
3-(1-Butoxyethenyl)cyclohex-2-en-1-one
CID 14296317
2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one
CID 134859070
2-Octyl-2,6,7,8-tetrahydrochromen-5-one
CID 134967488
2,3-Dimethoxy-5-(2-oxopropyl)cyclohexa-2,4-dien-1-one
CID 162824536
2-Methyl-2,6,7,8-tetrahydro-chromen-5-one
CID 11557341
2,3-Dimethyl-2,6,7,8-tetrahydrochromen-5-one
CID 44556817
3-(1,4-Dioxin-2-yl)cyclohex-2-en-1-one
CID 57166036

Frequently Asked Questions

What is the IUPAC name of 2,5,6,7-tetrahydrochromen-8-one?
The IUPAC name of 2,5,6,7-tetrahydrochromen-8-one (CID 150035896) is 2,5,6,7-tetrahydrochromen-8-one.
What is the SMILES notation for 2,5,6,7-tetrahydrochromen-8-one?
The canonical SMILES for 2,5,6,7-tetrahydrochromen-8-one is O=C1CCCC2=C1OCC=C2.
What is the InChIKey of 2,5,6,7-tetrahydrochromen-8-one?
The InChIKey is DIFZTVYNJMZPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h2,4H,1,3,5-6H2.
What are the key properties of 2,5,6,7-tetrahydrochromen-8-one?
2,5,6,7-tetrahydrochromen-8-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 2,5,6,7-tetrahydrochromen-8-one is sourced from PubChem (CID 150035896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).