2-(2-butoxy-2-methylpropyl)phenol

C14H22O2 — CID 67182146

IUPAC2-(2-butoxy-2-methylpropyl)phenol
SMILESCCCCOC(C)(C)Cc1ccccc1O
InChIInChI=1S/C14H22O2/c1-4-5-10-16-14(2,3)11-12-8-6-7-9-13(12)15/h6-9,15H,4-5,10-11H2,1-3H3
InChIKeyIICPVTGFIXGAHL-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.53
Rot. Bonds6

About 2-(2-butoxy-2-methylpropyl)phenol

2-(2-butoxy-2-methylpropyl)phenol (PubChem CID 67182146) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(2-butoxy-2-methylpropyl)phenol.

Molecular Properties

Compound Name2-(2-butoxy-2-methylpropyl)phenol
PubChem CID67182146
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(2-butoxy-2-methylpropyl)phenol
SMILESCCCCOC(C)(C)Cc1ccccc1O
InChIInChI=1S/C14H22O2/c1-4-5-10-16-14(2,3)11-12-8-6-7-9-13(12)15/h6-9,15H,4-5,10-11H2,1-3H3
InChIKeyIICPVTGFIXGAHL-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-butoxy-2-methylpropyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-decoxy-2-methylpropyl)phenol
CID 67181132
2-(2-aminooxy-2-methylpropyl)phenol
CID 117104866
2-(2-amino-2-methylpropyl)phenol
CID 22723438
2-(hydroxymethyl)phenol;pentane
CID 70619203
2-(3-hydroxy-2,2-dimethylpropyl)phenol
CID 135339227
2-dodecylphenol
CID 160834917
2-[2-methyl-2-(1-methylcyclopentyl)oxypropyl]phenol
CID 67181000
2-(3-butoxy-3-methylbutoxy)-2-methylpentane
CID 130387675
CID 69025009
CID 69025009
2-[(3-methylpentan-3-ylamino)methyl]phenol
CID 115630759
2-octylphenol;tungsten
CID 157237523
CID 158595082
CID 158595082

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxy-2-methylpropyl)phenol?
The IUPAC name of 2-(2-butoxy-2-methylpropyl)phenol (CID 67182146) is 2-(2-butoxy-2-methylpropyl)phenol.
What is the SMILES notation for 2-(2-butoxy-2-methylpropyl)phenol?
The canonical SMILES for 2-(2-butoxy-2-methylpropyl)phenol is CCCCOC(C)(C)Cc1ccccc1O.
What is the InChIKey of 2-(2-butoxy-2-methylpropyl)phenol?
The InChIKey is IICPVTGFIXGAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-5-10-16-14(2,3)11-12-8-6-7-9-13(12)15/h6-9,15H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(2-butoxy-2-methylpropyl)phenol?
2-(2-butoxy-2-methylpropyl)phenol has a molecular weight of 222.33 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxy-2-methylpropyl)phenol is sourced from PubChem (CID 67182146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).