3-(4-ethylphenyl)-1-(1,2,3-trimethylcyclopropyl)propan-1-one

C17H24O — CID 123867967

IUPAC3-(4-ethylphenyl)-1-(1,2,3-trimethylcyclopropyl)propan-1-one
SMILESCCc1ccc(CCC(=O)C2(C)C(C)C2C)cc1
InChIInChI=1S/C17H24O/c1-5-14-6-8-15(9-7-14)10-11-16(18)17(4)12(2)13(17)3/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyAVYMRLYBVPESEH-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.04
Rot. Bonds5

About 3-(4-ethylphenyl)-1-(1,2,3-trimethylcyclopropyl)propan-1-one

3-(4-ethylphenyl)-1-(1,2,3-trimethylcyclopropyl)propan-1-one (PubChem CID 123867967) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-(1,2,3-trimethylcyclopropyl)propan-1-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-(1,2,3-trimethylcyclopropyl)propan-1-one
PubChem CID123867967
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name3-(4-ethylphenyl)-1-(1,2,3-trimethylcyclopropyl)propan-1-one
SMILESCCc1ccc(CCC(=O)C2(C)C(C)C2C)cc1
InChIInChI=1S/C17H24O/c1-5-14-6-8-15(9-7-14)10-11-16(18)17(4)12(2)13(17)3/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyAVYMRLYBVPESEH-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid
CID 63645904
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
3-(4-ethylphenyl)-N-methylpropanehydrazide
CID 116844908
3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 110749751
propan-2-yl 3-(4-ethylphenyl)propanoate
CID 112722960
ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane
CID 176991202
3-(4-ethylphenyl)propanoyl isocyanate
CID 82076685
ethane;4-(4-ethylphenyl)butanamide
CID 142203218
1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one
CID 110707794
cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106321351
2-ethoxyethyl 3-(4-ethylphenyl)propanoate
CID 78832078
1-[3-(4-ethylphenyl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146439

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-(1,2,3-trimethylcyclopropyl)propan-1-one?
The IUPAC name of 3-(4-ethylphenyl)-1-(1,2,3-trimethylcyclopropyl)propan-1-one (CID 123867967) is 3-(4-ethylphenyl)-1-(1,2,3-trimethylcyclopropyl)propan-1-one.
What is the SMILES notation for 3-(4-ethylphenyl)-1-(1,2,3-trimethylcyclopropyl)propan-1-one?
The canonical SMILES for 3-(4-ethylphenyl)-1-(1,2,3-trimethylcyclopropyl)propan-1-one is CCc1ccc(CCC(=O)C2(C)C(C)C2C)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-(1,2,3-trimethylcyclopropyl)propan-1-one?
The InChIKey is AVYMRLYBVPESEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-5-14-6-8-15(9-7-14)10-11-16(18)17(4)12(2)13(17)3/h6-9,12-13H,5,10-11H2,1-4H3.
What are the key properties of 3-(4-ethylphenyl)-1-(1,2,3-trimethylcyclopropyl)propan-1-one?
3-(4-ethylphenyl)-1-(1,2,3-trimethylcyclopropyl)propan-1-one has a molecular weight of 244.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-(1,2,3-trimethylcyclopropyl)propan-1-one is sourced from PubChem (CID 123867967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).