4-(3-tert-butylphenoxy)-2-methylbutan-2-ol

C15H24O2 — CID 79359889

IUPAC4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H24O2/c1-14(2,3)12-7-6-8-13(11-12)17-10-9-15(4,5)16/h6-8,11,16H,9-10H2,1-5H3
InChIKeyXZZDRNPIHJDKBD-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.52
Rot. Bonds4

About 4-(3-tert-butylphenoxy)-2-methylbutan-2-ol

4-(3-tert-butylphenoxy)-2-methylbutan-2-ol (PubChem CID 79359889) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 4-(3-tert-butylphenoxy)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
PubChem CID79359889
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H24O2/c1-14(2,3)12-7-6-8-13(11-12)17-10-9-15(4,5)16/h6-8,11,16H,9-10H2,1-5H3
InChIKeyXZZDRNPIHJDKBD-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 64815058
2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol
CID 64807091
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
1-tert-butyl-3-(5-methoxypentoxy)benzene
CID 71001678
2-(3-tert-butylphenoxy)ethyl acetate
CID 20619578
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
5-(3-tert-butylphenoxy)-2,2-dimethylpentanenitrile
CID 65257601
2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 79360997
tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
CID 113100474
1,3-bis(3,3-dimethylbutoxy)benzene
CID 69310955
1-amino-3-(3-tert-butylphenoxy)-2-methylpropan-2-ol
CID 64815259

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylphenoxy)-2-methylbutan-2-ol?
The IUPAC name of 4-(3-tert-butylphenoxy)-2-methylbutan-2-ol (CID 79359889) is 4-(3-tert-butylphenoxy)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(3-tert-butylphenoxy)-2-methylbutan-2-ol?
The canonical SMILES for 4-(3-tert-butylphenoxy)-2-methylbutan-2-ol is CC(C)(O)CCOc1cccc(C(C)(C)C)c1.
What is the InChIKey of 4-(3-tert-butylphenoxy)-2-methylbutan-2-ol?
The InChIKey is XZZDRNPIHJDKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-14(2,3)12-7-6-8-13(11-12)17-10-9-15(4,5)16/h6-8,11,16H,9-10H2,1-5H3.
What are the key properties of 4-(3-tert-butylphenoxy)-2-methylbutan-2-ol?
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol has a molecular weight of 236.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylphenoxy)-2-methylbutan-2-ol is sourced from PubChem (CID 79359889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).