cyclopenta-1,3-diene;4-cyclopent-2-en-1-yl-2,6-dimethylphenol;2,6-dimethylphenol

C26H32O2 — CID 158380489

IUPACcyclopenta-1,3-diene;4-cyclopent-2-en-1-yl-2,6-dimethylphenol;2,6-dimethylphenol
SMILESC1=CCC=C1.Cc1cc(C2C=CCC2)cc(C)c1O.Cc1cccc(C)c1O
InChIInChI=1S/C13H16O.C8H10O.C5H6/c1-9-7-12(8-10(2)13(9)14)11-5-3-4-6-11;1-6-4-3-5-7(2)8(6)9;1-2-4-5-3-1/h3,5,7-8,11,14H,4,6H2,1-2H3;3-5,9H,1-2H3;1-4H,5H2
InChIKeyGVSOPMUOEDOVAV-UHFFFAOYSA-N
MW376.54 g/mol
LogP6.95
Rot. Bonds1

About cyclopenta-1,3-diene;4-cyclopent-2-en-1-yl-2,6-dimethylphenol;2,6-dimethylphenol

cyclopenta-1,3-diene;4-cyclopent-2-en-1-yl-2,6-dimethylphenol;2,6-dimethylphenol (PubChem CID 158380489) has the molecular formula C26H32O2 and a molecular weight of 376.54 g/mol. Its IUPAC name is cyclopenta-1,3-diene;4-cyclopent-2-en-1-yl-2,6-dimethylphenol;2,6-dimethylphenol.

Molecular Properties

Compound Namecyclopenta-1,3-diene;4-cyclopent-2-en-1-yl-2,6-dimethylphenol;2,6-dimethylphenol
PubChem CID158380489
Molecular FormulaC26H32O2
Molecular Weight376.54 g/mol
Exact Mass376.24
IUPAC Namecyclopenta-1,3-diene;4-cyclopent-2-en-1-yl-2,6-dimethylphenol;2,6-dimethylphenol
SMILESC1=CCC=C1.Cc1cc(C2C=CCC2)cc(C)c1O.Cc1cccc(C)c1O
InChIInChI=1S/C13H16O.C8H10O.C5H6/c1-9-7-12(8-10(2)13(9)14)11-5-3-4-6-11;1-6-4-3-5-7(2)8(6)9;1-2-4-5-3-1/h3,5,7-8,11,14H,4,6H2,1-2H3;3-5,9H,1-2H3;1-4H,5H2
InChIKeyGVSOPMUOEDOVAV-UHFFFAOYSA-N
XLogP6.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;4-cyclopent-2-en-1-yl-2,6-dimethylphenol;2,6-dimethylphenol with MolForge

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Launch Full Analysis

Related Compounds

Diethylstilbestrol
CID 448537
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
Magnolol
CID 72300
Hexestrol
CID 192197
2,4-Di-tert-butylphenol
CID 7311
Propofol
CID 4943
4,4'-Dihydroxybiphenyl
CID 7112
Bisphenol B
CID 66166

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;4-cyclopent-2-en-1-yl-2,6-dimethylphenol;2,6-dimethylphenol?
The IUPAC name of cyclopenta-1,3-diene;4-cyclopent-2-en-1-yl-2,6-dimethylphenol;2,6-dimethylphenol (CID 158380489) is cyclopenta-1,3-diene;4-cyclopent-2-en-1-yl-2,6-dimethylphenol;2,6-dimethylphenol.
What is the SMILES notation for cyclopenta-1,3-diene;4-cyclopent-2-en-1-yl-2,6-dimethylphenol;2,6-dimethylphenol?
The canonical SMILES for cyclopenta-1,3-diene;4-cyclopent-2-en-1-yl-2,6-dimethylphenol;2,6-dimethylphenol is C1=CCC=C1.Cc1cc(C2C=CCC2)cc(C)c1O.Cc1cccc(C)c1O.
What is the InChIKey of cyclopenta-1,3-diene;4-cyclopent-2-en-1-yl-2,6-dimethylphenol;2,6-dimethylphenol?
The InChIKey is GVSOPMUOEDOVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O.C8H10O.C5H6/c1-9-7-12(8-10(2)13(9)14)11-5-3-4-6-11;1-6-4-3-5-7(2)8(6)9;1-2-4-5-3-1/h3,5,7-8,11,14H,4,6H2,1-2H3;3-5,9H,1-2H3;1-4H,5H2.
What are the key properties of cyclopenta-1,3-diene;4-cyclopent-2-en-1-yl-2,6-dimethylphenol;2,6-dimethylphenol?
cyclopenta-1,3-diene;4-cyclopent-2-en-1-yl-2,6-dimethylphenol;2,6-dimethylphenol has a molecular weight of 376.54 g/mol, XLogP of 6.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;4-cyclopent-2-en-1-yl-2,6-dimethylphenol;2,6-dimethylphenol is sourced from PubChem (CID 158380489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).