3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol

C15H24O2 — CID 54122472

IUPAC3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol
SMILESCCOCCC(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H24O2/c1-4-17-10-9-15(16)14-7-5-13(6-8-14)11-12(2)3/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyNORYFFZDTKGABV-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.35
Rot. Bonds7

About 3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol

3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol (PubChem CID 54122472) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol
PubChem CID54122472
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol
SMILESCCOCCC(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H24O2/c1-4-17-10-9-15(16)14-7-5-13(6-8-14)11-12(2)3/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyNORYFFZDTKGABV-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.35
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

1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol
CID 112510765
4-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 105080275
3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol
CID 82928091
3-butoxy-1-(4-ethylphenyl)propan-1-ol
CID 115001888
methyl 5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoate
CID 82347165
3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol
CID 105096914
2-[1-methoxypropan-2-yl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60971114
N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782231
2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949204
3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 63427885
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol?
The IUPAC name of 3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol (CID 54122472) is 3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol?
The canonical SMILES for 3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol is CCOCCC(O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol?
The InChIKey is NORYFFZDTKGABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-17-10-9-15(16)14-7-5-13(6-8-14)11-12(2)3/h5-8,12,15-16H,4,9-11H2,1-3H3.
What are the key properties of 3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol?
3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol is sourced from PubChem (CID 54122472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).