2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol

C17H26O2 — CID 63907234

IUPAC2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol
SMILESCCc1ccc(OCC(O)C2CC2)c(C(C)(C)C)c1
InChIInChI=1S/C17H26O2/c1-5-12-6-9-16(14(10-12)17(2,3)4)19-11-15(18)13-7-8-13/h6,9-10,13,15,18H,5,7-8,11H2,1-4H3
InChIKeyKXCNLWNHMJRCDW-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.70
Rot. Bonds5

About 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol

2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol (PubChem CID 63907234) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol
PubChem CID63907234
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol
SMILESCCc1ccc(OCC(O)C2CC2)c(C(C)(C)C)c1
InChIInChI=1S/C17H26O2/c1-5-12-6-9-16(14(10-12)17(2,3)4)19-11-15(18)13-7-8-13/h6,9-10,13,15,18H,5,7-8,11H2,1-4H3
InChIKeyKXCNLWNHMJRCDW-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine
CID 104748287
3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol
CID 64805124
2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366667
(2-tert-butyl-4-ethylphenoxy)methyl-trifluoroboranuide
CID 63701534
1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine
CID 63914429
methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate
CID 28905814
5-(2-tert-butyl-4-ethylphenoxy)pentanenitrile
CID 60673937
N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine
CID 63476113
1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 63907448
3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64804713
1-cyclopropyl-2-(4-propylphenoxy)ethanol
CID 63908083
N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine
CID 63491138

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol?
The IUPAC name of 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol (CID 63907234) is 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol.
What is the SMILES notation for 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol?
The canonical SMILES for 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol is CCc1ccc(OCC(O)C2CC2)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol?
The InChIKey is KXCNLWNHMJRCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-5-12-6-9-16(14(10-12)17(2,3)4)19-11-15(18)13-7-8-13/h6,9-10,13,15,18H,5,7-8,11H2,1-4H3.
What are the key properties of 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol?
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol has a molecular weight of 262.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol is sourced from PubChem (CID 63907234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).