2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol

C17H26O3 — CID 106204040

IUPAC2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)COCCC2CCC2)cc1
InChIInChI=1S/C17H26O3/c1-13(2)20-16-8-6-15(7-9-16)17(18)12-19-11-10-14-4-3-5-14/h6-9,13-14,17-18H,3-5,10-12H2,1-2H3
InChIKeyDVCMFOCZQHWURF-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.71
Rot. Bonds8

About 2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol

2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 106204040) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol
PubChem CID106204040
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)COCCC2CCC2)cc1
InChIInChI=1S/C17H26O3/c1-13(2)20-16-8-6-15(7-9-16)17(18)12-19-11-10-14-4-3-5-14/h6-9,13-14,17-18H,3-5,10-12H2,1-2H3
InChIKeyDVCMFOCZQHWURF-UHFFFAOYSA-N
XLogP3.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 61086888
2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol
CID 104564711
2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol
CID 106203994
(2S)-1-(2-cyclobutylethoxy)propan-2-ol
CID 106204019
1-(4-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114519020
3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 82073844
2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 106201119
1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol
CID 114519068
1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol
CID 106199970
2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200916
N-(cyclobutylmethyl)-4-propan-2-yloxyaniline
CID 65458952
2-cyclopentyl-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65150469

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol (CID 106204040) is 2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol is CC(C)Oc1ccc(C(O)COCCC2CCC2)cc1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is DVCMFOCZQHWURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-13(2)20-16-8-6-15(7-9-16)17(18)12-19-11-10-14-4-3-5-14/h6-9,13-14,17-18H,3-5,10-12H2,1-2H3.
What are the key properties of 2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol?
2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 278.39 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 106204040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).