1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol

C18H30O2 — CID 82265791

IUPAC1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol
SMILESCCOc1c(C(C)(C)C)cc(C(C)O)cc1C(C)(C)C
InChIInChI=1S/C18H30O2/c1-9-20-16-14(17(3,4)5)10-13(12(2)19)11-15(16)18(6,7)8/h10-12,19H,9H2,1-8H3
InChIKeyWJPASVKYDXOUDQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.73
Rot. Bonds3

About 1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol

1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol (PubChem CID 82265791) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol
PubChem CID82265791
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol
SMILESCCOc1c(C(C)(C)C)cc(C(C)O)cc1C(C)(C)C
InChIInChI=1S/C18H30O2/c1-9-20-16-14(17(3,4)5)10-13(12(2)19)11-15(16)18(6,7)8/h10-12,19H,9H2,1-8H3
InChIKeyWJPASVKYDXOUDQ-UHFFFAOYSA-N
XLogP4.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-ditert-butyl-4-ethoxyphenyl)-2,2,2-trifluoroethanol
CID 83958752
(1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol
CID 97294345
propan-2-yl 2-(3,5-ditert-butyl-4-ethoxyphenyl)acetate
CID 82552909
1-(3-ethoxy-5-methylphenyl)ethanol
CID 171367862
bis((3,5-ditert-butyl-4-ethoxyphenyl)methylphosphonic acid);nickel
CID 87117902
cyclopropyl-(3,5-ditert-butyl-4-ethoxyphenyl)methanone
CID 82265790
2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol
CID 115823357
1-(3-tert-butyl-4-ethoxyphenyl)ethanamine
CID 5123257
1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol
CID 83934400
1-(3-tert-butyl-2-ethoxy-5-methylphenyl)heptane-3,4-diol
CID 83943134
2,6-ditert-butyl-4-ethoxyphenol;ethane
CID 143041042
1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol
CID 70065234

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol?
The IUPAC name of 1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol (CID 82265791) is 1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol.
What is the SMILES notation for 1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol?
The canonical SMILES for 1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol is CCOc1c(C(C)(C)C)cc(C(C)O)cc1C(C)(C)C.
What is the InChIKey of 1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol?
The InChIKey is WJPASVKYDXOUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-9-20-16-14(17(3,4)5)10-13(12(2)19)11-15(16)18(6,7)8/h10-12,19H,9H2,1-8H3.
What are the key properties of 1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol?
1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol has a molecular weight of 278.44 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol is sourced from PubChem (CID 82265791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).