2-hydroxy-5-nonylcyclohexa-2,4-dien-1-one

C15H24O2 — CID 66968553

IUPAC2-hydroxy-5-nonylcyclohexa-2,4-dien-1-one
SMILESCCCCCCCCCC1=CC=C(O)C(=O)C1
InChIInChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-13-10-11-14(16)15(17)12-13/h10-11,16H,2-9,12H2,1H3
InChIKeyWHYONOSBFSAOSC-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.47
Rot. Bonds8

About 2-hydroxy-5-nonylcyclohexa-2,4-dien-1-one

2-hydroxy-5-nonylcyclohexa-2,4-dien-1-one (PubChem CID 66968553) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-hydroxy-5-nonylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2-hydroxy-5-nonylcyclohexa-2,4-dien-1-one
PubChem CID66968553
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-hydroxy-5-nonylcyclohexa-2,4-dien-1-one
SMILESCCCCCCCCCC1=CC=C(O)C(=O)C1
InChIInChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-13-10-11-14(16)15(17)12-13/h10-11,16H,2-9,12H2,1H3
InChIKeyWHYONOSBFSAOSC-UHFFFAOYSA-N
XLogP4.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-hydroxy-5-nonylcyclohexa-2,4-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-nonylcyclohexa-2,4-dien-1-one?
The IUPAC name of 2-hydroxy-5-nonylcyclohexa-2,4-dien-1-one (CID 66968553) is 2-hydroxy-5-nonylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2-hydroxy-5-nonylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 2-hydroxy-5-nonylcyclohexa-2,4-dien-1-one is CCCCCCCCCC1=CC=C(O)C(=O)C1.
What is the InChIKey of 2-hydroxy-5-nonylcyclohexa-2,4-dien-1-one?
The InChIKey is WHYONOSBFSAOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-13-10-11-14(16)15(17)12-13/h10-11,16H,2-9,12H2,1H3.
What are the key properties of 2-hydroxy-5-nonylcyclohexa-2,4-dien-1-one?
2-hydroxy-5-nonylcyclohexa-2,4-dien-1-one has a molecular weight of 236.35 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-nonylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 66968553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).