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

C20H26O2 — CID 10040352

IUPAC2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
SMILESCCc1cc(C)cc(C(C)c2cc(C)cc(CC)c2O)c1O
InChIInChI=1S/C20H26O2/c1-6-15-8-12(3)10-17(19(15)21)14(5)18-11-13(4)9-16(7-2)20(18)22/h8-11,14,21-22H,6-7H2,1-5H3
InChIKeyNWPVDAIFYGUYRH-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.99
Rot. Bonds4

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

2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol (PubChem CID 10040352) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
PubChem CID10040352
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
SMILESCCc1cc(C)cc(C(C)c2cc(C)cc(CC)c2O)c1O
InChIInChI=1S/C20H26O2/c1-6-15-8-12(3)10-17(19(15)21)14(5)18-11-13(4)9-16(7-2)20(18)22/h8-11,14,21-22H,6-7H2,1-5H3
InChIKeyNWPVDAIFYGUYRH-UHFFFAOYSA-N
XLogP4.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-[cyclohepta-2,4,6-trien-1-yl-(3-ethyl-2-hydroxy-5-methylphenyl)methyl]-4,6-dimethylphenol
CID 20627303
2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol
CID 101246549
2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 134109781
2-ethyl-4-methyl-6-propylphenol
CID 66879780
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
2-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methyl]-4,6-dimethylphenol
CID 71213924
2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 66868185
3-ethyl-2-hydroxy-5-methylbenzaldehyde
CID 123167289
1-hydroxy-1-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]propan-2-one
CID 70849781
2-ethyl-6-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylphenol
CID 22011679

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol?
The IUPAC name of 2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol (CID 10040352) is 2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol.
What is the SMILES notation for 2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol?
The canonical SMILES for 2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol is CCc1cc(C)cc(C(C)c2cc(C)cc(CC)c2O)c1O.
What is the InChIKey of 2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol?
The InChIKey is NWPVDAIFYGUYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-6-15-8-12(3)10-17(19(15)21)14(5)18-11-13(4)9-16(7-2)20(18)22/h8-11,14,21-22H,6-7H2,1-5H3.
What are the key properties of 2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol?
2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol has a molecular weight of 298.43 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol is sourced from PubChem (CID 10040352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).