3-ethoxy-1-(4-propoxyphenyl)propan-1-one

C14H20O3 — CID 105096969

IUPAC3-ethoxy-1-(4-propoxyphenyl)propan-1-one
SMILESCCCOc1ccc(C(=O)CCOCC)cc1
InChIInChI=1S/C14H20O3/c1-3-10-17-13-7-5-12(6-8-13)14(15)9-11-16-4-2/h5-8H,3-4,9-11H2,1-2H3
InChIKeyRBXIDWSEHNPMPK-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.08
Rot. Bonds8

About 3-ethoxy-1-(4-propoxyphenyl)propan-1-one

3-ethoxy-1-(4-propoxyphenyl)propan-1-one (PubChem CID 105096969) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-ethoxy-1-(4-propoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-(4-propoxyphenyl)propan-1-one
PubChem CID105096969
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-ethoxy-1-(4-propoxyphenyl)propan-1-one
SMILESCCCOc1ccc(C(=O)CCOCC)cc1
InChIInChI=1S/C14H20O3/c1-3-10-17-13-7-5-12(6-8-13)14(15)9-11-16-4-2/h5-8H,3-4,9-11H2,1-2H3
InChIKeyRBXIDWSEHNPMPK-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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

3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 105097425
4-ethoxy-1-(4-ethoxyphenyl)butan-1-one
CID 105093941
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 3056738
butyl 4-oxo-4-(4-propoxyphenyl)butanoate
CID 60731121
1-(4-chlorophenyl)-3-ethoxypropan-1-one
CID 115601476
3-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 115601483
3-oxo-3-(4-propoxyphenyl)propanoic acid
CID 170886903
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222
ethyl 3-oxo-3-(4-propoxyphenyl)propanoate
CID 10682113
1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone
CID 143603704
3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride
CID 3066651

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-propoxyphenyl)propan-1-one?
The IUPAC name of 3-ethoxy-1-(4-propoxyphenyl)propan-1-one (CID 105096969) is 3-ethoxy-1-(4-propoxyphenyl)propan-1-one.
What is the SMILES notation for 3-ethoxy-1-(4-propoxyphenyl)propan-1-one?
The canonical SMILES for 3-ethoxy-1-(4-propoxyphenyl)propan-1-one is CCCOc1ccc(C(=O)CCOCC)cc1.
What is the InChIKey of 3-ethoxy-1-(4-propoxyphenyl)propan-1-one?
The InChIKey is RBXIDWSEHNPMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-10-17-13-7-5-12(6-8-13)14(15)9-11-16-4-2/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 3-ethoxy-1-(4-propoxyphenyl)propan-1-one?
3-ethoxy-1-(4-propoxyphenyl)propan-1-one has a molecular weight of 236.31 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-propoxyphenyl)propan-1-one is sourced from PubChem (CID 105096969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).