2,3-dimethyl-3-(2,4,6-trimethylphenoxy)butan-2-ol

C15H24O2 — CID 174880154

IUPAC2,3-dimethyl-3-(2,4,6-trimethylphenoxy)butan-2-ol
SMILESCc1cc(C)c(OC(C)(C)C(C)(C)O)c(C)c1
InChIInChI=1S/C15H24O2/c1-10-8-11(2)13(12(3)9-10)17-15(6,7)14(4,5)16/h8-9,16H,1-7H3
InChIKeyBGEWSWRWKJXIBG-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.54
Rot. Bonds3

About 2,3-dimethyl-3-(2,4,6-trimethylphenoxy)butan-2-ol

2,3-dimethyl-3-(2,4,6-trimethylphenoxy)butan-2-ol (PubChem CID 174880154) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2,3-dimethyl-3-(2,4,6-trimethylphenoxy)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-(2,4,6-trimethylphenoxy)butan-2-ol
PubChem CID174880154
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2,3-dimethyl-3-(2,4,6-trimethylphenoxy)butan-2-ol
SMILESCc1cc(C)c(OC(C)(C)C(C)(C)O)c(C)c1
InChIInChI=1S/C15H24O2/c1-10-8-11(2)13(12(3)9-10)17-15(6,7)14(4,5)16/h8-9,16H,1-7H3
InChIKeyBGEWSWRWKJXIBG-UHFFFAOYSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 79360580
10-tert-butyl-1,3,6,8-tetramethylanthracene
CID 59821346
CID 174026902
CID 174026902
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
2-(3,5-dimethylphenoxy)propan-2-ol
CID 19100289
1,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-3-(1-methylsulfanylethenyl)benzene
CID 91563538
1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene
CID 59592266
2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 82286933
1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]-5-prop-1-en-2-ylbenzene
CID 159812574
2,2-dimethyl-3-(2,4,6-trimethylphenoxy)propanethioamide
CID 82087771
2,2-dimethylpropyl (2,4,6-trimethylphenyl) hydrogen phosphite
CID 23454647
1-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115137018

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(2,4,6-trimethylphenoxy)butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-(2,4,6-trimethylphenoxy)butan-2-ol (CID 174880154) is 2,3-dimethyl-3-(2,4,6-trimethylphenoxy)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-(2,4,6-trimethylphenoxy)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-(2,4,6-trimethylphenoxy)butan-2-ol is Cc1cc(C)c(OC(C)(C)C(C)(C)O)c(C)c1.
What is the InChIKey of 2,3-dimethyl-3-(2,4,6-trimethylphenoxy)butan-2-ol?
The InChIKey is BGEWSWRWKJXIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-8-11(2)13(12(3)9-10)17-15(6,7)14(4,5)16/h8-9,16H,1-7H3.
What are the key properties of 2,3-dimethyl-3-(2,4,6-trimethylphenoxy)butan-2-ol?
2,3-dimethyl-3-(2,4,6-trimethylphenoxy)butan-2-ol has a molecular weight of 236.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(2,4,6-trimethylphenoxy)butan-2-ol is sourced from PubChem (CID 174880154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).