ethane;1-(3-ethylphenyl)propan-1-one

C13H20O — CID 142830478

IUPACethane;1-(3-ethylphenyl)propan-1-one
SMILESCC.CCC(=O)c1cccc(CC)c1
InChIInChI=1S/C11H14O.C2H6/c1-3-9-6-5-7-10(8-9)11(12)4-2;1-2/h5-8H,3-4H2,1-2H3;1-2H3
InChIKeyBJOJJUPGFKQJON-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.87
Rot. Bonds3

About ethane;1-(3-ethylphenyl)propan-1-one

ethane;1-(3-ethylphenyl)propan-1-one (PubChem CID 142830478) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is ethane;1-(3-ethylphenyl)propan-1-one.

Molecular Properties

Compound Nameethane;1-(3-ethylphenyl)propan-1-one
PubChem CID142830478
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Nameethane;1-(3-ethylphenyl)propan-1-one
SMILESCC.CCC(=O)c1cccc(CC)c1
InChIInChI=1S/C11H14O.C2H6/c1-3-9-6-5-7-10(8-9)11(12)4-2;1-2/h5-8H,3-4H2,1-2H3;1-2H3
InChIKeyBJOJJUPGFKQJON-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-ethylphenyl)-3-oxopropanoic acid
CID 55267512
3-ethylbenzoic acid;propane
CID 177324794
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
1-(3-ethylphenyl)octan-1-one
CID 115788827
3-amino-1-(3-ethylphenyl)pentan-1-one
CID 116609074
chloro 3-ethylbenzoate
CID 142246460
3-ethyl-N-methylbenzamide
CID 59115297
sulfanyl 3-ethylbenzoate
CID 89208053
2-dimethylphosphoryloxy-1-(3-ethylphenyl)ethanone
CID 174508962
2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone
CID 103543782
6-amino-1-(3-ethylphenyl)hexan-1-one
CID 116550033
3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one
CID 116557940

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-ethylphenyl)propan-1-one?
The IUPAC name of ethane;1-(3-ethylphenyl)propan-1-one (CID 142830478) is ethane;1-(3-ethylphenyl)propan-1-one.
What is the SMILES notation for ethane;1-(3-ethylphenyl)propan-1-one?
The canonical SMILES for ethane;1-(3-ethylphenyl)propan-1-one is CC.CCC(=O)c1cccc(CC)c1.
What is the InChIKey of ethane;1-(3-ethylphenyl)propan-1-one?
The InChIKey is BJOJJUPGFKQJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.C2H6/c1-3-9-6-5-7-10(8-9)11(12)4-2;1-2/h5-8H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(3-ethylphenyl)propan-1-one?
ethane;1-(3-ethylphenyl)propan-1-one has a molecular weight of 192.30 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-ethylphenyl)propan-1-one is sourced from PubChem (CID 142830478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).