1-(4-cyclobutylphenyl)-2,2-diethoxyethanol

C16H24O3 — CID 116505826

IUPAC1-(4-cyclobutylphenyl)-2,2-diethoxyethanol
SMILESCCOC(OCC)C(O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C16H24O3/c1-3-18-16(19-4-2)15(17)14-10-8-13(9-11-14)12-6-5-7-12/h8-12,15-17H,3-7H2,1-2H3
InChIKeyKSLSMZGHHBXMNQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.39
Rot. Bonds7

About 1-(4-cyclobutylphenyl)-2,2-diethoxyethanol

1-(4-cyclobutylphenyl)-2,2-diethoxyethanol (PubChem CID 116505826) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2,2-diethoxyethanol.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2,2-diethoxyethanol
PubChem CID116505826
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-(4-cyclobutylphenyl)-2,2-diethoxyethanol
SMILESCCOC(OCC)C(O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C16H24O3/c1-3-18-16(19-4-2)15(17)14-10-8-13(9-11-14)12-6-5-7-12/h8-12,15-17H,3-7H2,1-2H3
InChIKeyKSLSMZGHHBXMNQ-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-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol
CID 103459446
1-(2-cyclobutylphenyl)-2,2-diethoxyethanol
CID 114602355
1-(4-cyclobutylphenyl)-2-methylhexan-1-ol
CID 114247193
(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463
1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanol
CID 105129139
1-(4-cyclobutylphenyl)-2-ethoxy-3-methylbutan-1-amine
CID 116720885
1-(4-cyclobutylphenyl)-2-methylbutan-1-amine
CID 116506106
1-(4-cyclobutylphenyl)-3-ethoxypropan-1-amine
CID 105185330
1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 116505815
1-(4-cyclopentylphenyl)hexan-1-ol
CID 91233072
1-(4-cyclohexylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82316363
1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine
CID 114603906

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2,2-diethoxyethanol?
The IUPAC name of 1-(4-cyclobutylphenyl)-2,2-diethoxyethanol (CID 116505826) is 1-(4-cyclobutylphenyl)-2,2-diethoxyethanol.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2,2-diethoxyethanol?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2,2-diethoxyethanol is CCOC(OCC)C(O)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2,2-diethoxyethanol?
The InChIKey is KSLSMZGHHBXMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-18-16(19-4-2)15(17)14-10-8-13(9-11-14)12-6-5-7-12/h8-12,15-17H,3-7H2,1-2H3.
What are the key properties of 1-(4-cyclobutylphenyl)-2,2-diethoxyethanol?
1-(4-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-(4-cyclobutylphenyl)-2,2-diethoxyethanol is sourced from PubChem (CID 116505826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).