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

C15H22O2 — CID 114965728

IUPAC3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one
SMILESCCC(CC)C(=O)Cc1cc(C)ccc1OC
InChIInChI=1S/C15H22O2/c1-5-12(6-2)14(16)10-13-9-11(3)7-8-15(13)17-4/h7-9,12H,5-6,10H2,1-4H3
InChIKeyVHDWNEULDTVQAC-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.55
Rot. Bonds6

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

3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one (PubChem CID 114965728) 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-2-one.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one
PubChem CID114965728
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one
SMILESCCC(CC)C(=O)Cc1cc(C)ccc1OC
InChIInChI=1S/C15H22O2/c1-5-12(6-2)14(16)10-13-9-11(3)7-8-15(13)17-4/h7-9,12H,5-6,10H2,1-4H3
InChIKeyVHDWNEULDTVQAC-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 79495074
2-(hydroxymethyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 115186689
3-amino-1-(2-methoxy-5-methylphenyl)-4,4-dimethylpentan-2-one
CID 116611554
3-amino-1-(2-methoxy-5-methylphenyl)heptan-2-one
CID 116556836
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]butanoic acid
CID 43388197
N-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide
CID 115188857
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-ol
CID 63895461
2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
CID 54900678
1-(2-methoxy-5-methylphenyl)nonan-2-one
CID 114965759
2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
CID 60834543

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one?
The IUPAC name of 3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one (CID 114965728) is 3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one.
What is the SMILES notation for 3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one?
The canonical SMILES for 3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one is CCC(CC)C(=O)Cc1cc(C)ccc1OC.
What is the InChIKey of 3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one?
The InChIKey is VHDWNEULDTVQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-12(6-2)14(16)10-13-9-11(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-2-one?
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.55, 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-2-one is sourced from PubChem (CID 114965728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).