1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol

C13H20O2 — CID 114495975

IUPAC1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1cccc(C)c1C
InChIInChI=1S/C13H20O2/c1-5-13(4,14)9-15-12-8-6-7-10(2)11(12)3/h6-8,14H,5,9H2,1-4H3
InChIKeyKBIKJOHHPQSRFD-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.84
Rot. Bonds4

About 1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol

1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol (PubChem CID 114495975) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol
PubChem CID114495975
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1cccc(C)c1C
InChIInChI=1S/C13H20O2/c1-5-13(4,14)9-15-12-8-6-7-10(2)11(12)3/h6-8,14H,5,9H2,1-4H3
InChIKeyKBIKJOHHPQSRFD-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(2-methyl-3-pyridinyl)oxy]butan-2-ol
CID 114496106
1-(2,3-difluorophenoxy)-2-methylbutan-2-ol
CID 114496070
1-[2-(2-hydroxy-2-methylbutoxy)phenyl]ethanone
CID 114493911
1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114494372
5-(2-hydroxy-2-methylbutoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 114493926
2-[(2,3-dimethylphenoxy)methyl]-2-ethylbutane-1-sulfonamide
CID 65003591
1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol
CID 64812126
1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol
CID 104930417
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 8581903
ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol
CID 177208153
2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol
CID 114492127
1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine
CID 82354088

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol?
The IUPAC name of 1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol (CID 114495975) is 1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol?
The canonical SMILES for 1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol is CCC(C)(O)COc1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol?
The InChIKey is KBIKJOHHPQSRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-13(4,14)9-15-12-8-6-7-10(2)11(12)3/h6-8,14H,5,9H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol?
1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol is sourced from PubChem (CID 114495975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).