2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol

C15H24O2 — CID 175005292

IUPAC2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol
SMILESCC(C)c1ccc(OC(C)(C)C(C)(C)O)cc1
InChIInChI=1S/C15H24O2/c1-11(2)12-7-9-13(10-8-12)17-15(5,6)14(3,4)16/h7-11,16H,1-6H3
InChIKeyCQYMKJSXSDHUPN-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.74
Rot. Bonds4

About 2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol

2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol (PubChem CID 175005292) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol
PubChem CID175005292
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol
SMILESCC(C)c1ccc(OC(C)(C)C(C)(C)O)cc1
InChIInChI=1S/C15H24O2/c1-11(2)12-7-9-13(10-8-12)17-15(5,6)14(3,4)16/h7-11,16H,1-6H3
InChIKeyCQYMKJSXSDHUPN-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-propan-2-ylphenoxy)propane-2-thiol
CID 137410677
1-(2,3-dimethylbut-3-en-2-yloxy)-4-propan-2-ylbenzene
CID 123728884
2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol
CID 175409271
1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene
CID 118631923
CID 175409260
CID 175409260
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
boric acid;3-[4-(hydroxymethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 174970272
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene
CID 166842431
1-tert-butylperoxy-4-propan-2-ylbenzene
CID 20523322
2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 10688529
methanol;1-methoxy-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene
CID 144743530

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol (CID 175005292) is 2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol is CC(C)c1ccc(OC(C)(C)C(C)(C)O)cc1.
What is the InChIKey of 2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol?
The InChIKey is CQYMKJSXSDHUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)12-7-9-13(10-8-12)17-15(5,6)14(3,4)16/h7-11,16H,1-6H3.
What are the key properties of 2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol?
2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol has a molecular weight of 236.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol is sourced from PubChem (CID 175005292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).