1-(4-tert-butylphenyl)-3-ethoxy-2-methylpropan-2-ol

C16H26O2 — CID 113493295

IUPAC1-(4-tert-butylphenyl)-3-ethoxy-2-methylpropan-2-ol
SMILESCCOCC(C)(O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26O2/c1-6-18-12-16(5,17)11-13-7-9-14(10-8-13)15(2,3)4/h7-10,17H,6,11-12H2,1-5H3
InChIKeyFDSAEBWXGPDXLU-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.31
Rot. Bonds5

About 1-(4-tert-butylphenyl)-3-ethoxy-2-methylpropan-2-ol

1-(4-tert-butylphenyl)-3-ethoxy-2-methylpropan-2-ol (PubChem CID 113493295) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-ethoxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-ethoxy-2-methylpropan-2-ol
PubChem CID113493295
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(4-tert-butylphenyl)-3-ethoxy-2-methylpropan-2-ol
SMILESCCOCC(C)(O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26O2/c1-6-18-12-16(5,17)11-13-7-9-14(10-8-13)15(2,3)4/h7-10,17H,6,11-12H2,1-5H3
InChIKeyFDSAEBWXGPDXLU-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)propane-2,2-diol
CID 175500089
1-(4-ethylphenyl)-3-methoxy-2-methylpropan-2-ol
CID 62535452
2-[4-(ethoxymethyl)phenyl]propan-2-ol
CID 129179722
1-methoxy-2-methyl-3-(4-propan-2-ylphenyl)propan-2-ol
CID 65147096
1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66038264
1-tert-butyl-4-(2,2-diethoxyethyl)benzene
CID 119030887
1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene
CID 82255100
2,2-bis[(4-tert-butylphenyl)methyl]propane-1,3-diol
CID 11057694
2-(3,4-dimethylphenyl)-1-ethoxypropan-2-ol
CID 79568334
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
2-[(4-tert-butylphenyl)methyl]-2-ethylbutanoic acid
CID 63402911
1-tert-butyl-4-ethylbenzene
CID 157359507

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-ethoxy-2-methylpropan-2-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-3-ethoxy-2-methylpropan-2-ol (CID 113493295) is 1-(4-tert-butylphenyl)-3-ethoxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-ethoxy-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-ethoxy-2-methylpropan-2-ol is CCOCC(C)(O)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-ethoxy-2-methylpropan-2-ol?
The InChIKey is FDSAEBWXGPDXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-6-18-12-16(5,17)11-13-7-9-14(10-8-13)15(2,3)4/h7-10,17H,6,11-12H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-ethoxy-2-methylpropan-2-ol?
1-(4-tert-butylphenyl)-3-ethoxy-2-methylpropan-2-ol has a molecular weight of 250.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-ethoxy-2-methylpropan-2-ol is sourced from PubChem (CID 113493295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).