1-ethoxy-4-(3-methylphenyl)butan-2-ol

C13H20O2 — CID 105111845

IUPAC1-ethoxy-4-(3-methylphenyl)butan-2-ol
SMILESCCOCC(O)CCc1cccc(C)c1
InChIInChI=1S/C13H20O2/c1-3-15-10-13(14)8-7-12-6-4-5-11(2)9-12/h4-6,9,13-14H,3,7-8,10H2,1-2H3
InChIKeyYUOMVWFMGKSYAP-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.33
Rot. Bonds6

About 1-ethoxy-4-(3-methylphenyl)butan-2-ol

1-ethoxy-4-(3-methylphenyl)butan-2-ol (PubChem CID 105111845) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-ethoxy-4-(3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-ethoxy-4-(3-methylphenyl)butan-2-ol
PubChem CID105111845
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-ethoxy-4-(3-methylphenyl)butan-2-ol
SMILESCCOCC(O)CCc1cccc(C)c1
InChIInChI=1S/C13H20O2/c1-3-15-10-13(14)8-7-12-6-4-5-11(2)9-12/h4-6,9,13-14H,3,7-8,10H2,1-2H3
InChIKeyYUOMVWFMGKSYAP-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
1-(3-methylphenyl)nonan-3-ol
CID 105085389
1-ethoxy-4-pyridin-4-ylbutan-2-ol
CID 105111732
6-(3-methylphenyl)hexan-3-ol
CID 64513249
1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol
CID 63520342
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
2-methyl-4-(3-methylphenyl)butanoic acid
CID 79002257
3-(3-methylphenyl)-1-(4-propoxyphenyl)propan-1-ol
CID 105095182
1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol
CID 105088452
2-fluoro-4-(3-methylphenyl)butanoic acid
CID 84720725

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(3-methylphenyl)butan-2-ol?
The IUPAC name of 1-ethoxy-4-(3-methylphenyl)butan-2-ol (CID 105111845) is 1-ethoxy-4-(3-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-ethoxy-4-(3-methylphenyl)butan-2-ol?
The canonical SMILES for 1-ethoxy-4-(3-methylphenyl)butan-2-ol is CCOCC(O)CCc1cccc(C)c1.
What is the InChIKey of 1-ethoxy-4-(3-methylphenyl)butan-2-ol?
The InChIKey is YUOMVWFMGKSYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-15-10-13(14)8-7-12-6-4-5-11(2)9-12/h4-6,9,13-14H,3,7-8,10H2,1-2H3.
What are the key properties of 1-ethoxy-4-(3-methylphenyl)butan-2-ol?
1-ethoxy-4-(3-methylphenyl)butan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(3-methylphenyl)butan-2-ol is sourced from PubChem (CID 105111845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).