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

C14H22O2 — CID 64541532

IUPAC3-ethoxy-1-(4-ethylphenyl)butan-2-ol
SMILESCCOC(C)C(O)Cc1ccc(CC)cc1
InChIInChI=1S/C14H22O2/c1-4-12-6-8-13(9-7-12)10-14(15)11(3)16-5-2/h6-9,11,14-15H,4-5,10H2,1-3H3
InChIKeyUJFDANDAQRKFTA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.58
Rot. Bonds6

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

3-ethoxy-1-(4-ethylphenyl)butan-2-ol (PubChem CID 64541532) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-ethoxy-1-(4-ethylphenyl)butan-2-ol.

Molecular Properties

Compound Name3-ethoxy-1-(4-ethylphenyl)butan-2-ol
PubChem CID64541532
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-ethoxy-1-(4-ethylphenyl)butan-2-ol
SMILESCCOC(C)C(O)Cc1ccc(CC)cc1
InChIInChI=1S/C14H22O2/c1-4-12-6-8-13(9-7-12)10-14(15)11(3)16-5-2/h6-9,11,14-15H,4-5,10H2,1-3H3
InChIKeyUJFDANDAQRKFTA-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol
CID 64541572
1,1-diethoxy-3-(4-ethylphenyl)propan-2-ol
CID 79495839
3-(4-ethylphenyl)-1,1-difluoropropan-2-ol
CID 112575617
3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 64541540
3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 114347450
3-ethoxy-1-(2-methylphenyl)butan-2-ol
CID 64541141
1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol
CID 114931509
3-(2-hydroxypropoxy)-1-phenylbutan-2-ol
CID 19968656
4-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 105080275
3-(4-chlorophenyl)-1,1-diethoxypropan-2-ol
CID 79495652
3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol
CID 116713429
3-(4-aminophenyl)-2-ethoxypropane-1,1-diol
CID 143824751

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-ethylphenyl)butan-2-ol?
The IUPAC name of 3-ethoxy-1-(4-ethylphenyl)butan-2-ol (CID 64541532) is 3-ethoxy-1-(4-ethylphenyl)butan-2-ol.
What is the SMILES notation for 3-ethoxy-1-(4-ethylphenyl)butan-2-ol?
The canonical SMILES for 3-ethoxy-1-(4-ethylphenyl)butan-2-ol is CCOC(C)C(O)Cc1ccc(CC)cc1.
What is the InChIKey of 3-ethoxy-1-(4-ethylphenyl)butan-2-ol?
The InChIKey is UJFDANDAQRKFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-12-6-8-13(9-7-12)10-14(15)11(3)16-5-2/h6-9,11,14-15H,4-5,10H2,1-3H3.
What are the key properties of 3-ethoxy-1-(4-ethylphenyl)butan-2-ol?
3-ethoxy-1-(4-ethylphenyl)butan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-ethylphenyl)butan-2-ol is sourced from PubChem (CID 64541532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).