2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol

C14H22O2 — CID 11775739

IUPAC2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol
SMILESCc1cc(C)c(C)c(OC(C)C(C)(C)O)c1
InChIInChI=1S/C14H22O2/c1-9-7-10(2)11(3)13(8-9)16-12(4)14(5,6)15/h7-8,12,15H,1-6H3
InChIKeyQOQNJDDXJYWFMT-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.15
Rot. Bonds3

About 2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol

2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol (PubChem CID 11775739) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol
PubChem CID11775739
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol
SMILESCc1cc(C)c(C)c(OC(C)C(C)(C)O)c1
InChIInChI=1S/C14H22O2/c1-9-7-10(2)11(3)13(8-9)16-12(4)14(5,6)15/h7-8,12,15H,1-6H3
InChIKeyQOQNJDDXJYWFMT-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-amine
CID 63460817
N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine
CID 62484244
methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate
CID 64707715
(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 28631725
3-(2,3,5-trimethylphenoxy)butanenitrile
CID 114995149
N'-hydroxy-3-(2,3,5-trimethylphenoxy)butanimidamide
CID 114997084
(2R)-1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 38004866
1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol
CID 64812758
N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine
CID 55092742
(2R)-1-(azepan-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 92677756
3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine
CID 63496827
(2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
CID 100528023

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol?
The IUPAC name of 2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol (CID 11775739) is 2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol.
What is the SMILES notation for 2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol?
The canonical SMILES for 2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol is Cc1cc(C)c(C)c(OC(C)C(C)(C)O)c1.
What is the InChIKey of 2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol?
The InChIKey is QOQNJDDXJYWFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-9-7-10(2)11(3)13(8-9)16-12(4)14(5,6)15/h7-8,12,15H,1-6H3.
What are the key properties of 2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol?
2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol is sourced from PubChem (CID 11775739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).