2-cyclooctyl-3-phenylnaphthalene-1,4-dione

C24H24O2 — CID 142748986

IUPAC2-cyclooctyl-3-phenylnaphthalene-1,4-dione
SMILESO=C1C(c2ccccc2)=C(C2CCCCCCC2)C(=O)c2ccccc21
InChIInChI=1S/C24H24O2/c25-23-19-15-9-10-16-20(19)24(26)22(18-13-7-4-8-14-18)21(23)17-11-5-2-1-3-6-12-17/h4,7-10,13-17H,1-3,5-6,11-12H2
InChIKeyIJHVLONSTMBRAH-UHFFFAOYSA-N
MW344.45 g/mol
LogP5.88
Rot. Bonds2

About 2-cyclooctyl-3-phenylnaphthalene-1,4-dione

2-cyclooctyl-3-phenylnaphthalene-1,4-dione (PubChem CID 142748986) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-cyclooctyl-3-phenylnaphthalene-1,4-dione.

Molecular Properties

Compound Name2-cyclooctyl-3-phenylnaphthalene-1,4-dione
PubChem CID142748986
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name2-cyclooctyl-3-phenylnaphthalene-1,4-dione
SMILESO=C1C(c2ccccc2)=C(C2CCCCCCC2)C(=O)c2ccccc21
InChIInChI=1S/C24H24O2/c25-23-19-15-9-10-16-20(19)24(26)22(18-13-7-4-8-14-18)21(23)17-11-5-2-1-3-6-12-17/h4,7-10,13-17H,1-3,5-6,11-12H2
InChIKeyIJHVLONSTMBRAH-UHFFFAOYSA-N
XLogP5.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2-cyclooctyl-3-phenylnaphthalene-1,4-dione 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

2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one
CID 56589911
(4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one
CID 132917425
2-cyclododecylnaphthalene-1,4-dione
CID 142748981
2-chloro-3-[3-(3-chloro-1,4-dioxonaphthalen-2-yl)cyclohexyl]naphthalene-1,4-dione
CID 139785662
(4E)-2-cyclohexyl-4-(3-cyclohexyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one
CID 59920429
2-methyl-3-phenylinden-1-one
CID 2750462
1,1'-biphenyl;cyclohexylbenzene
CID 141106050
N-(1-cyclopentyl-3-oxoinden-2-yl)acetamide
CID 54402315
2-[4-(hydroxymethyl)cyclohexyl]-3-methylnaphthalene-1,4-dione
CID 10636798
2-(4-methylphenyl)-3-[3-(4-methylphenyl)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione
CID 141466102
(1S)-2'-cyclohexyl-5'-methyl-2,3-diphenylspiro[indene-1,4'-pyrazole]-3'-one
CID 134958403
2-ethoxy-3-[2-(3-ethoxy-1,4-dioxonaphthalen-2-yl)cyclohexyl]naphthalene-1,4-dione
CID 139785685

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-3-phenylnaphthalene-1,4-dione?
The IUPAC name of 2-cyclooctyl-3-phenylnaphthalene-1,4-dione (CID 142748986) is 2-cyclooctyl-3-phenylnaphthalene-1,4-dione.
What is the SMILES notation for 2-cyclooctyl-3-phenylnaphthalene-1,4-dione?
The canonical SMILES for 2-cyclooctyl-3-phenylnaphthalene-1,4-dione is O=C1C(c2ccccc2)=C(C2CCCCCCC2)C(=O)c2ccccc21.
What is the InChIKey of 2-cyclooctyl-3-phenylnaphthalene-1,4-dione?
The InChIKey is IJHVLONSTMBRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2/c25-23-19-15-9-10-16-20(19)24(26)22(18-13-7-4-8-14-18)21(23)17-11-5-2-1-3-6-12-17/h4,7-10,13-17H,1-3,5-6,11-12H2.
What are the key properties of 2-cyclooctyl-3-phenylnaphthalene-1,4-dione?
2-cyclooctyl-3-phenylnaphthalene-1,4-dione has a molecular weight of 344.45 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-3-phenylnaphthalene-1,4-dione is sourced from PubChem (CID 142748986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).