2,3-dimethyl-1-phenoxybutan-2-ol

C12H18O2 — CID 114447731

IUPAC2,3-dimethyl-1-phenoxybutan-2-ol
SMILESCC(C)C(C)(O)COc1ccccc1
InChIInChI=1S/C12H18O2/c1-10(2)12(3,13)9-14-11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3
InChIKeySZJQCSUCXOINOO-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.47
Rot. Bonds4

About 2,3-dimethyl-1-phenoxybutan-2-ol

2,3-dimethyl-1-phenoxybutan-2-ol (PubChem CID 114447731) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2,3-dimethyl-1-phenoxybutan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-phenoxybutan-2-ol
PubChem CID114447731
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2,3-dimethyl-1-phenoxybutan-2-ol
SMILESCC(C)C(C)(O)COc1ccccc1
InChIInChI=1S/C12H18O2/c1-10(2)12(3,13)9-14-11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3
InChIKeySZJQCSUCXOINOO-UHFFFAOYSA-N
XLogP2.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol
CID 114447732
1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 104930630
1-[3-(2-hydroxy-2,3-dimethylbutoxy)phenyl]ethanone
CID 114447778
2,3-dimethyl-1-(2-phenoxyethylamino)butan-2-ol
CID 114447528
1-[2-(2-hydroxy-2,3-dimethylbutoxy)phenyl]ethanone
CID 114447739
2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol
CID 114491732
2,2-difluoropropoxybenzene
CID 10997493
1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 114491649
1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol
CID 114496029
1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 78930168
phenoxybenzene;propane-2,2-diol
CID 174556232
2,2-dimethyl-3-phenoxypropanoyl chloride
CID 82040727

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-phenoxybutan-2-ol?
The IUPAC name of 2,3-dimethyl-1-phenoxybutan-2-ol (CID 114447731) is 2,3-dimethyl-1-phenoxybutan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-phenoxybutan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-phenoxybutan-2-ol is CC(C)C(C)(O)COc1ccccc1.
What is the InChIKey of 2,3-dimethyl-1-phenoxybutan-2-ol?
The InChIKey is SZJQCSUCXOINOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-10(2)12(3,13)9-14-11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-phenoxybutan-2-ol?
2,3-dimethyl-1-phenoxybutan-2-ol has a molecular weight of 194.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-phenoxybutan-2-ol is sourced from PubChem (CID 114447731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).