2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol

C27H40O2 — CID 101246549

IUPAC2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol
SMILESCCc1cc(C)cc(C(c2cc(C)cc(CC)c2O)C(CC)CC(C)(C)C)c1O
InChIInChI=1S/C27H40O2/c1-9-19-12-17(4)14-22(25(19)28)24(21(11-3)16-27(6,7)8)23-15-18(5)13-20(10-2)26(23)29/h12-15,21,24,28-29H,9-11,16H2,1-8H3
InChIKeyMMFZOSQEBFRZEL-UHFFFAOYSA-N
MW396.62 g/mol
LogP7.43
Rot. Bonds7

About 2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol

2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol (PubChem CID 101246549) has the molecular formula C27H40O2 and a molecular weight of 396.62 g/mol. Its IUPAC name is 2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol.

Molecular Properties

Compound Name2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol
PubChem CID101246549
Molecular FormulaC27H40O2
Molecular Weight396.62 g/mol
Exact Mass396.30
IUPAC Name2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol
SMILESCCc1cc(C)cc(C(c2cc(C)cc(CC)c2O)C(CC)CC(C)(C)C)c1O
InChIInChI=1S/C27H40O2/c1-9-19-12-17(4)14-22(25(19)28)24(21(11-3)16-27(6,7)8)23-15-18(5)13-20(10-2)26(23)29/h12-15,21,24,28-29H,9-11,16H2,1-8H3
InChIKeyMMFZOSQEBFRZEL-UHFFFAOYSA-N
XLogP7.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 10040352
2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)but-3-enyl]-4-methylphenol
CID 58803739
2-(1,2-13C2)ethyl-4,6-dimethylphenol
CID 102175536
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
2-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol
CID 20627303
2-ethyl-4-methyl-6-propylphenol
CID 66879780
3-[3-(difluoromethyl)-2-hydroxy-5-methylphenyl]-2,2-dimethylpropanoic acid
CID 117398979
3-ethyl-2-hydroxy-5-methylbenzaldehyde
CID 123167289
2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol
CID 137060299
2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-prop-2-enylpent-4-enyl]-4-methylphenol
CID 58803757
2-(2-amino-3,5-dimethylphenyl)-4,4-dimethylpentanoic acid
CID 106987402
1-hydroxy-1-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]propan-2-one
CID 70849781

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol?
The IUPAC name of 2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol (CID 101246549) is 2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol.
What is the SMILES notation for 2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol?
The canonical SMILES for 2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol is CCc1cc(C)cc(C(c2cc(C)cc(CC)c2O)C(CC)CC(C)(C)C)c1O.
What is the InChIKey of 2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol?
The InChIKey is MMFZOSQEBFRZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O2/c1-9-19-12-17(4)14-22(25(19)28)24(21(11-3)16-27(6,7)8)23-15-18(5)13-20(10-2)26(23)29/h12-15,21,24,28-29H,9-11,16H2,1-8H3.
What are the key properties of 2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol?
2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol has a molecular weight of 396.62 g/mol, XLogP of 7.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol is sourced from PubChem (CID 101246549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).