2-(2-decoxy-2-methylpropyl)phenol

C20H34O2 — CID 67181132

IUPAC2-(2-decoxy-2-methylpropyl)phenol
SMILESCCCCCCCCCCOC(C)(C)Cc1ccccc1O
InChIInChI=1S/C20H34O2/c1-4-5-6-7-8-9-10-13-16-22-20(2,3)17-18-14-11-12-15-19(18)21/h11-12,14-15,21H,4-10,13,16-17H2,1-3H3
InChIKeyJJEKVSYEAHMRSX-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.87
Rot. Bonds12

About 2-(2-decoxy-2-methylpropyl)phenol

2-(2-decoxy-2-methylpropyl)phenol (PubChem CID 67181132) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-(2-decoxy-2-methylpropyl)phenol.

Molecular Properties

Compound Name2-(2-decoxy-2-methylpropyl)phenol
PubChem CID67181132
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name2-(2-decoxy-2-methylpropyl)phenol
SMILESCCCCCCCCCCOC(C)(C)Cc1ccccc1O
InChIInChI=1S/C20H34O2/c1-4-5-6-7-8-9-10-13-16-22-20(2,3)17-18-14-11-12-15-19(18)21/h11-12,14-15,21H,4-10,13,16-17H2,1-3H3
InChIKeyJJEKVSYEAHMRSX-UHFFFAOYSA-N
XLogP5.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxy-2-methylpropyl)phenol
CID 67182146
2-(2-aminooxy-2-methylpropyl)phenol
CID 117104866
2-dodecylphenol
CID 160834917
octyl 2-(2-hydroxyphenyl)acetate
CID 174380401
1-octadecoxy-1-phenylethanol
CID 175437177
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
2-tridecoxyphenol
CID 67178320
ethene;2-nonylphenol
CID 66616289
lithium;2-dodecylphenol;hydride
CID 174657819

Frequently Asked Questions

What is the IUPAC name of 2-(2-decoxy-2-methylpropyl)phenol?
The IUPAC name of 2-(2-decoxy-2-methylpropyl)phenol (CID 67181132) is 2-(2-decoxy-2-methylpropyl)phenol.
What is the SMILES notation for 2-(2-decoxy-2-methylpropyl)phenol?
The canonical SMILES for 2-(2-decoxy-2-methylpropyl)phenol is CCCCCCCCCCOC(C)(C)Cc1ccccc1O.
What is the InChIKey of 2-(2-decoxy-2-methylpropyl)phenol?
The InChIKey is JJEKVSYEAHMRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-4-5-6-7-8-9-10-13-16-22-20(2,3)17-18-14-11-12-15-19(18)21/h11-12,14-15,21H,4-10,13,16-17H2,1-3H3.
What are the key properties of 2-(2-decoxy-2-methylpropyl)phenol?
2-(2-decoxy-2-methylpropyl)phenol has a molecular weight of 306.49 g/mol, XLogP of 5.87, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-decoxy-2-methylpropyl)phenol is sourced from PubChem (CID 67181132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).