2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol

C16H24O2 — CID 16033

IUPAC2-(4-tert-butylphenoxy)cyclohexan-1-ol
SMILESCC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O
InChIInChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
InChIKeyFTIXUILRMBSXNS-UHFFFAOYSA-N
MW248.36 g/mol
LogP4.20
Rot. Bonds3

About 2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol

2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol (PubChem CID 16033) has the molecular formula C16H24O2 and a molecular weight of 248.36 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol
PubChem CID16033
Molecular FormulaC16H24O2
Molecular Weight248.36 g/mol
Exact Mass248.18
IUPAC Name2-(4-tert-butylphenoxy)cyclohexan-1-ol
SMILESCC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O
InChIInChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
InChIKeyFTIXUILRMBSXNS-UHFFFAOYSA-N
XLogP4.20
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity248

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Bisphenol A diglycidyl ether
CID 2286
Propargite
CID 4936
Etofenprox
CID 71245
Nonaethylene Glycol Nonylphenyl Ether
CID 72385
Bisphenol A diglycidyl ether dimethacrylate
CID 15284
p-tert-Butylphenyl glycidyl ether
CID 18360
Triton X 100
CID 5590
4-Nonylphenol diethoxylate
CID 24773
Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
CID 24775
Bisphenol A bis(2-hydroxypropyl) ether
CID 8306
2-(p-Nonylphenoxy)ethanol
CID 7700
Bisphenol A diglycidyl ether diacrylate
CID 92212

Frequently Asked Questions

What is the IUPAC name of 2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol?
The IUPAC name of 2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol (CID 16033) is 2-(4-tert-butylphenoxy)cyclohexan-1-ol.
What is the SMILES notation for 2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol?
The canonical SMILES for 2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol is CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O.
What is the InChIKey of 2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol?
The InChIKey is FTIXUILRMBSXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3.
What are the key properties of 2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol?
2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol has a molecular weight of 248.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol is sourced from PubChem (CID 16033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).