3-ethoxy-1-(2-methylphenyl)butan-2-ol

C13H20O2 — CID 64541141

IUPAC3-ethoxy-1-(2-methylphenyl)butan-2-ol
SMILESCCOC(C)C(O)Cc1ccccc1C
InChIInChI=1S/C13H20O2/c1-4-15-11(3)13(14)9-12-8-6-5-7-10(12)2/h5-8,11,13-14H,4,9H2,1-3H3
InChIKeyGYGIMXUEKXYJPF-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.32
Rot. Bonds5

About 3-ethoxy-1-(2-methylphenyl)butan-2-ol

3-ethoxy-1-(2-methylphenyl)butan-2-ol (PubChem CID 64541141) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-ethoxy-1-(2-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name3-ethoxy-1-(2-methylphenyl)butan-2-ol
PubChem CID64541141
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-ethoxy-1-(2-methylphenyl)butan-2-ol
SMILESCCOC(C)C(O)Cc1ccccc1C
InChIInChI=1S/C13H20O2/c1-4-15-11(3)13(14)9-12-8-6-5-7-10(12)2/h5-8,11,13-14H,4,9H2,1-3H3
InChIKeyGYGIMXUEKXYJPF-UHFFFAOYSA-N
XLogP2.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 114347450
1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol
CID 64541569
1,1-difluoro-3-(2-methylphenyl)propan-2-ol
CID 112699159
ethyl (2S)-2-methyl-3-(2-methylphenyl)propanoate
CID 125424870
3-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 64541532
1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol
CID 114931509
3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine
CID 116721266
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol
CID 79496432
4-methyl-1-(2-methylphenyl)heptan-3-ol
CID 107894629
1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol
CID 64541572
1,2-bis(2-methylphenyl)ethanol
CID 60798292

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(2-methylphenyl)butan-2-ol?
The IUPAC name of 3-ethoxy-1-(2-methylphenyl)butan-2-ol (CID 64541141) is 3-ethoxy-1-(2-methylphenyl)butan-2-ol.
What is the SMILES notation for 3-ethoxy-1-(2-methylphenyl)butan-2-ol?
The canonical SMILES for 3-ethoxy-1-(2-methylphenyl)butan-2-ol is CCOC(C)C(O)Cc1ccccc1C.
What is the InChIKey of 3-ethoxy-1-(2-methylphenyl)butan-2-ol?
The InChIKey is GYGIMXUEKXYJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-15-11(3)13(14)9-12-8-6-5-7-10(12)2/h5-8,11,13-14H,4,9H2,1-3H3.
What are the key properties of 3-ethoxy-1-(2-methylphenyl)butan-2-ol?
3-ethoxy-1-(2-methylphenyl)butan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(2-methylphenyl)butan-2-ol is sourced from PubChem (CID 64541141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).