2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol

C17H26O2 — CID 79564198

IUPAC2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol
SMILESCC(C)(C)c1ccc(OCCC2CCCC2O)cc1
InChIInChI=1S/C17H26O2/c1-17(2,3)14-7-9-15(10-8-14)19-12-11-13-5-4-6-16(13)18/h7-10,13,16,18H,4-6,11-12H2,1-3H3
InChIKeyFNULQMPRMNBCRL-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.91
Rot. Bonds4

About 2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol

2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol (PubChem CID 79564198) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol
PubChem CID79564198
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol
SMILESCC(C)(C)c1ccc(OCCC2CCCC2O)cc1
InChIInChI=1S/C17H26O2/c1-17(2,3)14-7-9-15(10-8-14)19-12-11-13-5-4-6-16(13)18/h7-10,13,16,18H,4-6,11-12H2,1-3H3
InChIKeyFNULQMPRMNBCRL-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol
CID 79587994
1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene
CID 144526488
2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine
CID 60664263
2-[3-(4-tert-butylphenoxy)propyl]oxolane
CID 65170270
2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine
CID 62479956
3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one
CID 39390816
2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol
CID 112588831
1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 43442010
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
4-(4-tert-butylphenoxy)butanamide
CID 82041345
2-(2-methoxyethyl)cyclohexan-1-ol
CID 14682106
N-[3-(4-tert-butylphenoxy)propyl]cyclopentanamine;oxalic acid
CID 2948780

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol?
The IUPAC name of 2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol (CID 79564198) is 2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol?
The canonical SMILES for 2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol is CC(C)(C)c1ccc(OCCC2CCCC2O)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol?
The InChIKey is FNULQMPRMNBCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-17(2,3)14-7-9-15(10-8-14)19-12-11-13-5-4-6-16(13)18/h7-10,13,16,18H,4-6,11-12H2,1-3H3.
What are the key properties of 2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol?
2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79564198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).