2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol

C24H34O2 — CID 20661068

IUPAC2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol
SMILESCCCCCc1cc(C)cc(-c2cc(C)cc(CCCCC)c2O)c1O
InChIInChI=1S/C24H34O2/c1-5-7-9-11-19-13-17(3)15-21(23(19)25)22-16-18(4)14-20(24(22)26)12-10-8-6-2/h13-16,25-26H,5-12H2,1-4H3
InChIKeyYKTVPDQBZMKKIH-UHFFFAOYSA-N
MW354.53 g/mol
LogP6.85
Rot. Bonds9

About 2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol

2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol (PubChem CID 20661068) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol.

Molecular Properties

Compound Name2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol
PubChem CID20661068
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol
SMILESCCCCCc1cc(C)cc(-c2cc(C)cc(CCCCC)c2O)c1O
InChIInChI=1S/C24H34O2/c1-5-7-9-11-19-13-17(3)15-21(23(19)25)22-16-18(4)14-20(24(22)26)12-10-8-6-2/h13-16,25-26H,5-12H2,1-4H3
InChIKeyYKTVPDQBZMKKIH-UHFFFAOYSA-N
XLogP6.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-6-[(3-hexyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 3293989
2-tert-butyl-4-methyl-6-pentylphenol
CID 58210348
2-(2H-benzotriazol-4-yl)-6-hexadecyl-4-methylphenol
CID 141058122
2-butyl-6-(dimethylamino)-4-methylphenol
CID 67848119
2-butyl-6-[(3-butyl-2-hydroxy-5-methylphenyl)disulfanyl]-4-methylphenol
CID 139889373
2,6-di(undecyl)benzene-1,4-diol
CID 139946395
2,6-di(tridecyl)benzene-1,4-diol
CID 19033571
2,4,6-triheptylphenol
CID 139692303
2,3,5-triheptylbenzene-1,4-diol
CID 139946372
4-ethyl-3,6-dipentylbenzene-1,2-diol
CID 87912054
2,3,5-tri(nonyl)benzene-1,4-diol
CID 139946381
2,3-dibutyl-5-methylphenol
CID 151375054

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol?
The IUPAC name of 2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol (CID 20661068) is 2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol.
What is the SMILES notation for 2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol?
The canonical SMILES for 2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol is CCCCCc1cc(C)cc(-c2cc(C)cc(CCCCC)c2O)c1O.
What is the InChIKey of 2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol?
The InChIKey is YKTVPDQBZMKKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1-5-7-9-11-19-13-17(3)15-21(23(19)25)22-16-18(4)14-20(24(22)26)12-10-8-6-2/h13-16,25-26H,5-12H2,1-4H3.
What are the key properties of 2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol?
2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol has a molecular weight of 354.53 g/mol, XLogP of 6.85, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol is sourced from PubChem (CID 20661068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).