2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol

C13H20O2 — CID 175409233

IUPAC2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol
SMILESCc1ccccc1OC(C)(C)C(C)(C)O
InChIInChI=1S/C13H20O2/c1-10-8-6-7-9-11(10)15-13(4,5)12(2,3)14/h6-9,14H,1-5H3
InChIKeyMCRUAJWFZOYRHN-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.92
Rot. Bonds3

About 2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol

2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol (PubChem CID 175409233) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol
PubChem CID175409233
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol
SMILESCc1ccccc1OC(C)(C)C(C)(C)O
InChIInChI=1S/C13H20O2/c1-10-8-6-7-9-11(10)15-13(4,5)12(2,3)14/h6-9,14H,1-5H3
InChIKeyMCRUAJWFZOYRHN-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol (CID 175409233) is 2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol is Cc1ccccc1OC(C)(C)C(C)(C)O.
What is the InChIKey of 2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol?
The InChIKey is MCRUAJWFZOYRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10-8-6-7-9-11(10)15-13(4,5)12(2,3)14/h6-9,14H,1-5H3.
What are the key properties of 2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol?
2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.92, 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-methylphenoxy)butan-2-ol is sourced from PubChem (CID 175409233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).