2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol

C16H24O3 — CID 116505399

IUPAC2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol
SMILESCOC(CC(C)(O)c1ccc(C2CCC2)cc1)OC
InChIInChI=1S/C16H24O3/c1-16(17,11-15(18-2)19-3)14-9-7-13(8-10-14)12-5-4-6-12/h7-10,12,15,17H,4-6,11H2,1-3H3
InChIKeyQZYBFMNCBSTIHZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.17
Rot. Bonds6

About 2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol

2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol (PubChem CID 116505399) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol.

Molecular Properties

Compound Name2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol
PubChem CID116505399
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol
SMILESCOC(CC(C)(O)c1ccc(C2CCC2)cc1)OC
InChIInChI=1S/C16H24O3/c1-16(17,11-15(18-2)19-3)14-9-7-13(8-10-14)12-5-4-6-12/h7-10,12,15,17H,4-6,11H2,1-3H3
InChIKeyQZYBFMNCBSTIHZ-UHFFFAOYSA-N
XLogP3.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.17
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

2-(4-cyclobutylphenyl)butan-2-ol
CID 116505233
1-amino-2-(4-cyclobutylphenyl)propan-2-ol
CID 116505464
2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol
CID 116505450
2-(4-cyclobutylphenyl)-1-cyclopropylpropan-2-ol
CID 116505508
1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol
CID 116507022
2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol
CID 116507021
2-(4-cyclobutylphenyl)-2-hydroxypropanal
CID 116505401
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 24843348
4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol
CID 116505479
1-(4-cyclopropylphenyl)ethane-1,1-diol
CID 91219710
3-(4-cyclobutylphenyl)-2-methylbutan-2-ol
CID 123497840
1-(4-cyclobutylphenyl)-3-methoxy-3-methylbutan-1-one
CID 103023554

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol?
The IUPAC name of 2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol (CID 116505399) is 2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol.
What is the SMILES notation for 2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol?
The canonical SMILES for 2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol is COC(CC(C)(O)c1ccc(C2CCC2)cc1)OC.
What is the InChIKey of 2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol?
The InChIKey is QZYBFMNCBSTIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-16(17,11-15(18-2)19-3)14-9-7-13(8-10-14)12-5-4-6-12/h7-10,12,15,17H,4-6,11H2,1-3H3.
What are the key properties of 2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol?
2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol is sourced from PubChem (CID 116505399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).