3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one

C15H22O2 — CID 115795319

IUPAC3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one
SMILESCCC(CC)CC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C15H22O2/c1-5-12(6-2)10-14(16)13-9-11(3)7-8-15(13)17-4/h7-9,12H,5-6,10H2,1-4H3
InChIKeyQGOIKMUJRXEBDG-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.01
Rot. Bonds6

About 3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one

3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one (PubChem CID 115795319) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one
PubChem CID115795319
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one
SMILESCCC(CC)CC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C15H22O2/c1-5-12(6-2)10-14(16)13-9-11(3)7-8-15(13)17-4/h7-9,12H,5-6,10H2,1-4H3
InChIKeyQGOIKMUJRXEBDG-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065883
3-amino-4-methoxy-1-(2-methoxy-5-methylphenyl)butan-1-one
CID 112629857
1-(2,5-dimethoxyphenyl)-3-ethylheptan-1-one
CID 114963735
2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one
CID 103452969
3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 62796966
1-(2-methoxy-5-methylphenyl)pentane-1,4-dione
CID 94682943
1-(2-methoxy-5-methylphenyl)undecan-1-one
CID 114968931
2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one
CID 116709606
2-(2-methoxy-5-methylbenzoyl)butanenitrile
CID 62503537
1-(2-methoxy-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 65137967
2-(2-ethylbutoxy)-5-methylbenzoic acid
CID 82926706
5-bromo-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 146007223

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one?
The IUPAC name of 3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one (CID 115795319) is 3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one.
What is the SMILES notation for 3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one?
The canonical SMILES for 3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one is CCC(CC)CC(=O)c1cc(C)ccc1OC.
What is the InChIKey of 3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one?
The InChIKey is QGOIKMUJRXEBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-12(6-2)10-14(16)13-9-11(3)7-8-15(13)17-4/h7-9,12H,5-6,10H2,1-4H3.
What are the key properties of 3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one?
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one has a molecular weight of 234.34 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one is sourced from PubChem (CID 115795319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).