1-(2-cyclobutylphenyl)-2,2-diethoxyethanol

C16H24O3 — CID 114602355

IUPAC1-(2-cyclobutylphenyl)-2,2-diethoxyethanol
SMILESCCOC(OCC)C(O)c1ccccc1C1CCC1
InChIInChI=1S/C16H24O3/c1-3-18-16(19-4-2)15(17)14-11-6-5-10-13(14)12-8-7-9-12/h5-6,10-12,15-17H,3-4,7-9H2,1-2H3
InChIKeyHFPPRIWZVGNREV-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.39
Rot. Bonds7

About 1-(2-cyclobutylphenyl)-2,2-diethoxyethanol

1-(2-cyclobutylphenyl)-2,2-diethoxyethanol (PubChem CID 114602355) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-2,2-diethoxyethanol.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-2,2-diethoxyethanol
PubChem CID114602355
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-(2-cyclobutylphenyl)-2,2-diethoxyethanol
SMILESCCOC(OCC)C(O)c1ccccc1C1CCC1
InChIInChI=1S/C16H24O3/c1-3-18-16(19-4-2)15(17)14-11-6-5-10-13(14)12-8-7-9-12/h5-6,10-12,15-17H,3-4,7-9H2,1-2H3
InChIKeyHFPPRIWZVGNREV-UHFFFAOYSA-N
XLogP3.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyclobutylphenyl)-2-cyclopropyl-2-ethoxyethanol
CID 114602475
1-(2-cyclobutylphenyl)butane-1,2-diol
CID 103454593
1-(2-cyclobutylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 114604774
1-(2-cyclobutylphenyl)-2-phenylpropan-1-ol
CID 114601326
1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine
CID 114604701
(1R)-1-[2-(2-cyclobutylphenyl)phenyl]ethanol
CID 71129039
2-amino-1-(2-cyclohexylphenyl)ethanol
CID 83837309
(1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol
CID 104939856
1-(2,3-dimethylphenyl)-2,2-diethoxyethanol
CID 79496143
1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine
CID 114603922
1-(2,3-dichlorophenyl)-2,2-diethoxyethanol
CID 79495182
[1-(2-cyclobutylphenyl)-2-propylpentyl]hydrazine
CID 105341336

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-2,2-diethoxyethanol?
The IUPAC name of 1-(2-cyclobutylphenyl)-2,2-diethoxyethanol (CID 114602355) is 1-(2-cyclobutylphenyl)-2,2-diethoxyethanol.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-2,2-diethoxyethanol?
The canonical SMILES for 1-(2-cyclobutylphenyl)-2,2-diethoxyethanol is CCOC(OCC)C(O)c1ccccc1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-2,2-diethoxyethanol?
The InChIKey is HFPPRIWZVGNREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-18-16(19-4-2)15(17)14-11-6-5-10-13(14)12-8-7-9-12/h5-6,10-12,15-17H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(2-cyclobutylphenyl)-2,2-diethoxyethanol?
1-(2-cyclobutylphenyl)-2,2-diethoxyethanol has a molecular weight of 264.37 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-2,2-diethoxyethanol is sourced from PubChem (CID 114602355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).