2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol

C19H32O — CID 130178622

IUPAC2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol
SMILESCCC(C)(CC)Cc1cccc(C(C)(CC)CC)c1O
InChIInChI=1S/C19H32O/c1-7-18(5,8-2)14-15-12-11-13-16(17(15)20)19(6,9-3)10-4/h11-13,20H,7-10,14H2,1-6H3
InChIKeySDHXANUERALTPZ-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.84
Rot. Bonds7

About 2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol

2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol (PubChem CID 130178622) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol.

Molecular Properties

Compound Name2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol
PubChem CID130178622
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol
SMILESCCC(C)(CC)Cc1cccc(C(C)(CC)CC)c1O
InChIInChI=1S/C19H32O/c1-7-18(5,8-2)14-15-12-11-13-16(17(15)20)19(6,9-3)10-4/h11-13,20H,7-10,14H2,1-6H3
InChIKeySDHXANUERALTPZ-UHFFFAOYSA-N
XLogP5.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol
CID 88886549
2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol
CID 12617722
2-(2,2-dimethylpropyl)-6-methylphenol
CID 22013258
2-ethyl-6-(2-methylpentan-2-yl)phenol
CID 154203714
2-tert-butyl-6-pentadecylphenol
CID 151192860
2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol
CID 66060666
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol;bis(propan-2-ol);titanium
CID 134902928
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
2-(2-aminoethyl)-6-(1,1-difluoroethyl)phenol
CID 84670019
4-[2-[[(Z)-1-amino-2,4-dimethylpent-1-enyl]amino]ethyl]-2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol
CID 126693282
(2-ethyl-2-methylbutyl)benzene
CID 123641908
2-ethyl-6-(3-ethyl-2-hydroxyphenyl)phenol
CID 14783606

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol?
The IUPAC name of 2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol (CID 130178622) is 2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol.
What is the SMILES notation for 2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol?
The canonical SMILES for 2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol is CCC(C)(CC)Cc1cccc(C(C)(CC)CC)c1O.
What is the InChIKey of 2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol?
The InChIKey is SDHXANUERALTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-7-18(5,8-2)14-15-12-11-13-16(17(15)20)19(6,9-3)10-4/h11-13,20H,7-10,14H2,1-6H3.
What are the key properties of 2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol?
2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol has a molecular weight of 276.46 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol is sourced from PubChem (CID 130178622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).