3-butoxy-1-(4-ethylphenyl)propan-1-ol

C15H24O2 — CID 115001888

IUPAC3-butoxy-1-(4-ethylphenyl)propan-1-ol
SMILESCCCCOCCC(O)c1ccc(CC)cc1
InChIInChI=1S/C15H24O2/c1-3-5-11-17-12-10-15(16)14-8-6-13(4-2)7-9-14/h6-9,15-16H,3-5,10-12H2,1-2H3
InChIKeyDCFDZADMTYUVAH-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.49
Rot. Bonds8

About 3-butoxy-1-(4-ethylphenyl)propan-1-ol

3-butoxy-1-(4-ethylphenyl)propan-1-ol (PubChem CID 115001888) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-butoxy-1-(4-ethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-butoxy-1-(4-ethylphenyl)propan-1-ol
PubChem CID115001888
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-butoxy-1-(4-ethylphenyl)propan-1-ol
SMILESCCCCOCCC(O)c1ccc(CC)cc1
InChIInChI=1S/C15H24O2/c1-3-5-11-17-12-10-15(16)14-8-6-13(4-2)7-9-14/h6-9,15-16H,3-5,10-12H2,1-2H3
InChIKeyDCFDZADMTYUVAH-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-butoxy-1-(4-ethylphenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 55096279
(1R)-1-(4-ethylphenyl)butan-1-ol
CID 39237012
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol
CID 43531596
3-amino-1-(4-ethylphenyl)propan-1-ol
CID 55269424
1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515423
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 54122472
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
1-(4-butylphenyl)butan-1-ol
CID 61088483
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105084361

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-1-(4-ethylphenyl)propan-1-ol?
The IUPAC name of 3-butoxy-1-(4-ethylphenyl)propan-1-ol (CID 115001888) is 3-butoxy-1-(4-ethylphenyl)propan-1-ol.
What is the SMILES notation for 3-butoxy-1-(4-ethylphenyl)propan-1-ol?
The canonical SMILES for 3-butoxy-1-(4-ethylphenyl)propan-1-ol is CCCCOCCC(O)c1ccc(CC)cc1.
What is the InChIKey of 3-butoxy-1-(4-ethylphenyl)propan-1-ol?
The InChIKey is DCFDZADMTYUVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-5-11-17-12-10-15(16)14-8-6-13(4-2)7-9-14/h6-9,15-16H,3-5,10-12H2,1-2H3.
What are the key properties of 3-butoxy-1-(4-ethylphenyl)propan-1-ol?
3-butoxy-1-(4-ethylphenyl)propan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1-(4-ethylphenyl)propan-1-ol is sourced from PubChem (CID 115001888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).