2-[2,4-di(propan-2-yl)phenoxy]ethanol

C14H22O2 — CID 166451717

IUPAC2-[2,4-di(propan-2-yl)phenoxy]ethanol
SMILESCC(C)c1ccc(OCCO)c(C(C)C)c1
InChIInChI=1S/C14H22O2/c1-10(2)12-5-6-14(16-8-7-15)13(9-12)11(3)4/h5-6,9-11,15H,7-8H2,1-4H3
InChIKeyOPTJANHPPYGVQF-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.30
Rot. Bonds5

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

2-[2,4-di(propan-2-yl)phenoxy]ethanol (PubChem CID 166451717) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[2,4-di(propan-2-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[2,4-di(propan-2-yl)phenoxy]ethanol
PubChem CID166451717
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-[2,4-di(propan-2-yl)phenoxy]ethanol
SMILESCC(C)c1ccc(OCCO)c(C(C)C)c1
InChIInChI=1S/C14H22O2/c1-10(2)12-5-6-14(16-8-7-15)13(9-12)11(3)4/h5-6,9-11,15H,7-8H2,1-4H3
InChIKeyOPTJANHPPYGVQF-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-di(propan-2-yl)-1-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene
CID 59782980
2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol
CID 167865489
3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83935225
4-pent-4-yn-2-yl-2-propan-2-yl-1-propoxybenzene
CID 83935094
2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol
CID 170242933
3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
CID 83935223
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene
CID 59987619
2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol
CID 163912251
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol
CID 66515047
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
3-(3-propan-2-yl-4-propoxyphenyl)hexanoic acid
CID 83958301

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-di(propan-2-yl)phenoxy]ethanol?
The IUPAC name of 2-[2,4-di(propan-2-yl)phenoxy]ethanol (CID 166451717) is 2-[2,4-di(propan-2-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[2,4-di(propan-2-yl)phenoxy]ethanol?
The canonical SMILES for 2-[2,4-di(propan-2-yl)phenoxy]ethanol is CC(C)c1ccc(OCCO)c(C(C)C)c1.
What is the InChIKey of 2-[2,4-di(propan-2-yl)phenoxy]ethanol?
The InChIKey is OPTJANHPPYGVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(2)12-5-6-14(16-8-7-15)13(9-12)11(3)4/h5-6,9-11,15H,7-8H2,1-4H3.
What are the key properties of 2-[2,4-di(propan-2-yl)phenoxy]ethanol?
2-[2,4-di(propan-2-yl)phenoxy]ethanol has a molecular weight of 222.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-di(propan-2-yl)phenoxy]ethanol is sourced from PubChem (CID 166451717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).