1-(4-butoxy-3-ethylphenyl)ethanone

C14H20O2 — CID 90741782

IUPAC1-(4-butoxy-3-ethylphenyl)ethanone
SMILESCCCCOc1ccc(C(C)=O)cc1CC
InChIInChI=1S/C14H20O2/c1-4-6-9-16-14-8-7-13(11(3)15)10-12(14)5-2/h7-8,10H,4-6,9H2,1-3H3
InChIKeyUFPSAZPJAIMVAJ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.63
Rot. Bonds6

About 1-(4-butoxy-3-ethylphenyl)ethanone

1-(4-butoxy-3-ethylphenyl)ethanone (PubChem CID 90741782) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(4-butoxy-3-ethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-butoxy-3-ethylphenyl)ethanone
PubChem CID90741782
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(4-butoxy-3-ethylphenyl)ethanone
SMILESCCCCOc1ccc(C(C)=O)cc1CC
InChIInChI=1S/C14H20O2/c1-4-6-9-16-14-8-7-13(11(3)15)10-12(14)5-2/h7-8,10H,4-6,9H2,1-3H3
InChIKeyUFPSAZPJAIMVAJ-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-butoxy-4-methoxyphenyl)ethanone
CID 21189688
1-(4-pentoxy-3-prop-2-enylphenyl)ethanone
CID 54849741
1-(3,4-diheptoxyphenyl)ethanone
CID 23127596
1-[3,4-di(nonoxy)phenyl]ethanone
CID 23127426
1-[3-(butoxymethyl)-4-methoxyphenyl]ethanone
CID 43789546
1-(3-chloro-4-octoxyphenyl)ethanone
CID 55223026
1-[4-(2-butoxyethoxy)-3-chlorophenyl]ethanone
CID 55132462
1-butoxy-2-ethyl-4-methylbenzene
CID 20826275
1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone
CID 126558424
1-[4-octoxy-3-(trifluoromethyl)phenyl]ethanone
CID 59384446
methyl 5-acetyl-2-pentoxybenzoate
CID 121004853
1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone
CID 170996131

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-3-ethylphenyl)ethanone?
The IUPAC name of 1-(4-butoxy-3-ethylphenyl)ethanone (CID 90741782) is 1-(4-butoxy-3-ethylphenyl)ethanone.
What is the SMILES notation for 1-(4-butoxy-3-ethylphenyl)ethanone?
The canonical SMILES for 1-(4-butoxy-3-ethylphenyl)ethanone is CCCCOc1ccc(C(C)=O)cc1CC.
What is the InChIKey of 1-(4-butoxy-3-ethylphenyl)ethanone?
The InChIKey is UFPSAZPJAIMVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-6-9-16-14-8-7-13(11(3)15)10-12(14)5-2/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 1-(4-butoxy-3-ethylphenyl)ethanone?
1-(4-butoxy-3-ethylphenyl)ethanone has a molecular weight of 220.31 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-3-ethylphenyl)ethanone is sourced from PubChem (CID 90741782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).