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

C14H22O2 — CID 105080275

IUPAC4-ethoxy-1-(4-ethylphenyl)butan-2-ol
SMILESCCOCCC(O)Cc1ccc(CC)cc1
InChIInChI=1S/C14H22O2/c1-3-12-5-7-13(8-6-12)11-14(15)9-10-16-4-2/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyYPQXHIUOSIDUNA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.58
Rot. Bonds7

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

4-ethoxy-1-(4-ethylphenyl)butan-2-ol (PubChem CID 105080275) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-ethoxy-1-(4-ethylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-ethoxy-1-(4-ethylphenyl)butan-2-ol
PubChem CID105080275
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-ethoxy-1-(4-ethylphenyl)butan-2-ol
SMILESCCOCCC(O)Cc1ccc(CC)cc1
InChIInChI=1S/C14H22O2/c1-3-12-5-7-13(8-6-12)11-14(15)9-10-16-4-2/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyYPQXHIUOSIDUNA-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-1-(4-methoxyphenyl)butan-2-ol
CID 62606919
4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol
CID 105115139
1-(3-bromophenyl)-4-ethoxybutan-2-ol
CID 62607821
1-phenyl-4-propoxybutan-2-ol
CID 105076516
1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol
CID 105089027
3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 54122472
4-ethoxy-1-(2-fluorophenyl)butan-2-ol
CID 62607286
1-(4-iodophenyl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927712
1-(2-ethoxyethyl)-4-ethylbenzene
CID 70640844
3-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 64541532
5-ethoxy-1-(furan-3-yl)pentan-2-ol
CID 105123168
1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol
CID 105080302

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-ethylphenyl)butan-2-ol?
The IUPAC name of 4-ethoxy-1-(4-ethylphenyl)butan-2-ol (CID 105080275) is 4-ethoxy-1-(4-ethylphenyl)butan-2-ol.
What is the SMILES notation for 4-ethoxy-1-(4-ethylphenyl)butan-2-ol?
The canonical SMILES for 4-ethoxy-1-(4-ethylphenyl)butan-2-ol is CCOCCC(O)Cc1ccc(CC)cc1.
What is the InChIKey of 4-ethoxy-1-(4-ethylphenyl)butan-2-ol?
The InChIKey is YPQXHIUOSIDUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-12-5-7-13(8-6-12)11-14(15)9-10-16-4-2/h5-8,14-15H,3-4,9-11H2,1-2H3.
What are the key properties of 4-ethoxy-1-(4-ethylphenyl)butan-2-ol?
4-ethoxy-1-(4-ethylphenyl)butan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-ethylphenyl)butan-2-ol is sourced from PubChem (CID 105080275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).