3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one

C14H20O3 — CID 105097425

IUPAC3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one
SMILESCCOCCC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H20O3/c1-4-16-10-9-14(15)12-5-7-13(8-6-12)17-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyZKUJRAYKVOACOT-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.08
Rot. Bonds7

About 3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one

3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one (PubChem CID 105097425) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one
PubChem CID105097425
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one
SMILESCCOCCC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H20O3/c1-4-16-10-9-14(15)12-5-7-13(8-6-12)17-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyZKUJRAYKVOACOT-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 105097430
1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 2170743
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 98014339
3-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 115601483
1-(4-chlorophenyl)-3-ethoxypropan-1-one
CID 115601476
ethyl 7-oxo-7-(4-propan-2-yloxyphenyl)heptanoate
CID 24727573
4-amino-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 82341479
5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 116607520
3-ethoxy-1-pyridin-4-ylpropan-1-one
CID 114997236
4-ethoxy-1-(4-ethoxyphenyl)butan-1-one
CID 105093941
5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione
CID 43321414

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one?
The IUPAC name of 3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one (CID 105097425) is 3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one.
What is the SMILES notation for 3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one?
The canonical SMILES for 3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one is CCOCCC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one?
The InChIKey is ZKUJRAYKVOACOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-16-10-9-14(15)12-5-7-13(8-6-12)17-11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one?
3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one has a molecular weight of 236.31 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one is sourced from PubChem (CID 105097425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).