2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol

C16H26O2 — CID 5590

IUPAC2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol
SMILESCC(C)(C)CC(C)(C)c1ccc(OCCO)cc1
InChIInChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3
InChIKeyJYCQQPHGFMYQCF-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.77
Rot. Bonds5

About 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol

2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol (PubChem CID 5590) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol
PubChem CID5590
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol
SMILESCC(C)(C)CC(C)(C)c1ccc(OCCO)cc1
InChIInChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3
InChIKeyJYCQQPHGFMYQCF-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol 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

Mephenesin
CID 4059
Bisphenol A diglycidyl ether
CID 2286
Propargite
CID 4936
Etofenprox
CID 71245
Nonaethylene Glycol Nonylphenyl Ether
CID 72385
Aramite
CID 8809
Bisphenol A diglycidyl ether dimethacrylate
CID 15284
p-tert-Butylphenyl glycidyl ether
CID 18360
4-Nonylphenol diethoxylate
CID 24773
2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol
CID 16033
4-Methoxyphenethyl alcohol
CID 69705
Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
CID 24775

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol?
The IUPAC name of 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol (CID 5590) is 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol?
The canonical SMILES for 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol is CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1.
What is the InChIKey of 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol?
The InChIKey is JYCQQPHGFMYQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3.
What are the key properties of 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol?
2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol has a molecular weight of 250.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol is sourced from PubChem (CID 5590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).