6-hydroxy-4-(2-hydroxynonyl)cyclohexa-2,4-dien-1-one

C15H24O3 — CID 154640704

IUPAC6-hydroxy-4-(2-hydroxynonyl)cyclohexa-2,4-dien-1-one
SMILESCCCCCCCC(O)CC1=CC(O)C(=O)C=C1
InChIInChI=1S/C15H24O3/c1-2-3-4-5-6-7-13(16)10-12-8-9-14(17)15(18)11-12/h8-9,11,13,15-16,18H,2-7,10H2,1H3
InChIKeyRTFHKXIKHBNWCC-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.52
Rot. Bonds8

About 6-hydroxy-4-(2-hydroxynonyl)cyclohexa-2,4-dien-1-one

6-hydroxy-4-(2-hydroxynonyl)cyclohexa-2,4-dien-1-one (PubChem CID 154640704) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 6-hydroxy-4-(2-hydroxynonyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-hydroxy-4-(2-hydroxynonyl)cyclohexa-2,4-dien-1-one
PubChem CID154640704
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name6-hydroxy-4-(2-hydroxynonyl)cyclohexa-2,4-dien-1-one
SMILESCCCCCCCC(O)CC1=CC(O)C(=O)C=C1
InChIInChI=1S/C15H24O3/c1-2-3-4-5-6-7-13(16)10-12-8-9-14(17)15(18)11-12/h8-9,11,13,15-16,18H,2-7,10H2,1H3
InChIKeyRTFHKXIKHBNWCC-UHFFFAOYSA-N
XLogP2.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-(2-hydroxynonyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-hydroxy-4-(2-hydroxynonyl)cyclohexa-2,4-dien-1-one (CID 154640704) is 6-hydroxy-4-(2-hydroxynonyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-hydroxy-4-(2-hydroxynonyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-hydroxy-4-(2-hydroxynonyl)cyclohexa-2,4-dien-1-one is CCCCCCCC(O)CC1=CC(O)C(=O)C=C1.
What is the InChIKey of 6-hydroxy-4-(2-hydroxynonyl)cyclohexa-2,4-dien-1-one?
The InChIKey is RTFHKXIKHBNWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-2-3-4-5-6-7-13(16)10-12-8-9-14(17)15(18)11-12/h8-9,11,13,15-16,18H,2-7,10H2,1H3.
What are the key properties of 6-hydroxy-4-(2-hydroxynonyl)cyclohexa-2,4-dien-1-one?
6-hydroxy-4-(2-hydroxynonyl)cyclohexa-2,4-dien-1-one has a molecular weight of 252.35 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-(2-hydroxynonyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 154640704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).