2-hydroxy-5-propylcyclohexa-2,5-dien-1-one

C9H12O2 — CID 89266132

IUPAC2-hydroxy-5-propylcyclohexa-2,5-dien-1-one
SMILESCCCC1=CC(=O)C(O)=CC1
InChIInChI=1S/C9H12O2/c1-2-3-7-4-5-8(10)9(11)6-7/h5-6,10H,2-4H2,1H3
InChIKeyDAPWTIYMIIYOID-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.13
Rot. Bonds2

About 2-hydroxy-5-propylcyclohexa-2,5-dien-1-one

2-hydroxy-5-propylcyclohexa-2,5-dien-1-one (PubChem CID 89266132) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-hydroxy-5-propylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2-hydroxy-5-propylcyclohexa-2,5-dien-1-one
PubChem CID89266132
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-hydroxy-5-propylcyclohexa-2,5-dien-1-one
SMILESCCCC1=CC(=O)C(O)=CC1
InChIInChI=1S/C9H12O2/c1-2-3-7-4-5-8(10)9(11)6-7/h5-6,10H,2-4H2,1H3
InChIKeyDAPWTIYMIIYOID-UHFFFAOYSA-N
XLogP2.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-hydroxy-5-propylcyclohexa-2,5-dien-1-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-hydroxy-5-propylcyclohexa-2,5-dien-1-one?
The IUPAC name of 2-hydroxy-5-propylcyclohexa-2,5-dien-1-one (CID 89266132) is 2-hydroxy-5-propylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2-hydroxy-5-propylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 2-hydroxy-5-propylcyclohexa-2,5-dien-1-one is CCCC1=CC(=O)C(O)=CC1.
What is the InChIKey of 2-hydroxy-5-propylcyclohexa-2,5-dien-1-one?
The InChIKey is DAPWTIYMIIYOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-3-7-4-5-8(10)9(11)6-7/h5-6,10H,2-4H2,1H3.
What are the key properties of 2-hydroxy-5-propylcyclohexa-2,5-dien-1-one?
2-hydroxy-5-propylcyclohexa-2,5-dien-1-one has a molecular weight of 152.19 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-propylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 89266132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).