2-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol

C25H28O2 — CID 20627303

IUPAC2-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol
SMILESCCc1cc(C)cc(C(c2cc(C)cc(C)c2O)C2C=CC=CC=C2)c1O
InChIInChI=1S/C25H28O2/c1-5-19-13-17(3)15-22(25(19)27)23(20-10-8-6-7-9-11-20)21-14-16(2)12-18(4)24(21)26/h6-15,20,23,26-27H,5H2,1-4H3
InChIKeyHCCREYANEBVYPI-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.02
Rot. Bonds4

About 2-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol

2-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol (PubChem CID 20627303) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol
PubChem CID20627303
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name2-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol
SMILESCCc1cc(C)cc(C(c2cc(C)cc(C)c2O)C2C=CC=CC=C2)c1O
InChIInChI=1S/C25H28O2/c1-5-19-13-17(3)15-22(25(19)27)23(20-10-8-6-7-9-11-20)21-14-16(2)12-18(4)24(21)26/h6-15,20,23,26-27H,5H2,1-4H3
InChIKeyHCCREYANEBVYPI-UHFFFAOYSA-N
XLogP6.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol with MolForge

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Related Compounds

2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 10040352
2-(1,2-13C2)ethyl-4,6-dimethylphenol
CID 102175536
2-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methyl]-4,6-dimethylphenol
CID 71213924
2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol
CID 101246549
2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)but-3-enyl]-4-methylphenol
CID 58803739
ethyl 4-[bis(2-hydroxy-3,5-dimethylphenyl)methyl]cyclohexane-1-carboxylate
CID 58803711
2-ethyl-6-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylphenol
CID 22011679
2,4-dimethyl-6-triacontan-2-ylphenol
CID 19904487
2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 134464799
2-[(1S)-1-aminobutyl]-4,6-dimethylphenol
CID 130920909
2-ethyl-4-methyl-6-propylphenol
CID 66879780
2-[1-(3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol
CID 18336370

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol?
The IUPAC name of 2-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol (CID 20627303) is 2-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol is CCc1cc(C)cc(C(c2cc(C)cc(C)c2O)C2C=CC=CC=C2)c1O.
What is the InChIKey of 2-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol?
The InChIKey is HCCREYANEBVYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2/c1-5-19-13-17(3)15-22(25(19)27)23(20-10-8-6-7-9-11-20)21-14-16(2)12-18(4)24(21)26/h6-15,20,23,26-27H,5H2,1-4H3.
What are the key properties of 2-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol?
2-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol has a molecular weight of 360.50 g/mol, XLogP of 6.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol is sourced from PubChem (CID 20627303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).