2,6-diethyl-4-(2-methylheptan-2-yl)phenol

C18H30O — CID 91497422

IUPAC2,6-diethyl-4-(2-methylheptan-2-yl)phenol
SMILESCCCCCC(C)(C)c1cc(CC)c(O)c(CC)c1
InChIInChI=1S/C18H30O/c1-6-9-10-11-18(4,5)16-12-14(7-2)17(19)15(8-3)13-16/h12-13,19H,6-11H2,1-5H3
InChIKeyLBSQLKKIGJYKAA-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.37
Rot. Bonds7

About 2,6-diethyl-4-(2-methylheptan-2-yl)phenol

2,6-diethyl-4-(2-methylheptan-2-yl)phenol (PubChem CID 91497422) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2,6-diethyl-4-(2-methylheptan-2-yl)phenol.

Molecular Properties

Compound Name2,6-diethyl-4-(2-methylheptan-2-yl)phenol
PubChem CID91497422
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2,6-diethyl-4-(2-methylheptan-2-yl)phenol
SMILESCCCCCC(C)(C)c1cc(CC)c(O)c(CC)c1
InChIInChI=1S/C18H30O/c1-6-9-10-11-18(4,5)16-12-14(7-2)17(19)15(8-3)13-16/h12-13,19H,6-11H2,1-5H3
InChIKeyLBSQLKKIGJYKAA-UHFFFAOYSA-N
XLogP5.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylheptan-2-yl)benzene-1,3-diol
CID 12713057
2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
5,11,17,23,29,35,41,47-octakis(2-methyltridecan-2-yl)nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol
CID 100978630
2-hydroxy-3,5-bis(2-methyloctan-2-yl)benzoic acid
CID 22345991
4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67945373
3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
2,6-diethyl-4-pentylphenol
CID 66879488
5-ethyl-4-[[2-ethyl-4-hydroxy-5-(2-methylundecan-2-yl)phenyl]methyl]-2-(2-methylundecan-2-yl)phenol
CID 21499187
acetaldehyde;4-(2-methylheptan-2-yl)phenol
CID 87674929
2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895
1-ethyl-4-(2-methylheptan-2-yl)benzene
CID 54310984
4-[1,1-bis(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 139775343

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4-(2-methylheptan-2-yl)phenol?
The IUPAC name of 2,6-diethyl-4-(2-methylheptan-2-yl)phenol (CID 91497422) is 2,6-diethyl-4-(2-methylheptan-2-yl)phenol.
What is the SMILES notation for 2,6-diethyl-4-(2-methylheptan-2-yl)phenol?
The canonical SMILES for 2,6-diethyl-4-(2-methylheptan-2-yl)phenol is CCCCCC(C)(C)c1cc(CC)c(O)c(CC)c1.
What is the InChIKey of 2,6-diethyl-4-(2-methylheptan-2-yl)phenol?
The InChIKey is LBSQLKKIGJYKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-6-9-10-11-18(4,5)16-12-14(7-2)17(19)15(8-3)13-16/h12-13,19H,6-11H2,1-5H3.
What are the key properties of 2,6-diethyl-4-(2-methylheptan-2-yl)phenol?
2,6-diethyl-4-(2-methylheptan-2-yl)phenol has a molecular weight of 262.44 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4-(2-methylheptan-2-yl)phenol is sourced from PubChem (CID 91497422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).