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

C13H18O2 — CID 79308264

IUPAC2-(2-methoxy-5-methylphenyl)pentan-3-one
SMILESCCC(=O)C(C)c1cc(C)ccc1OC
InChIInChI=1S/C13H18O2/c1-5-12(14)10(3)11-8-9(2)6-7-13(11)15-4/h6-8,10H,5H2,1-4H3
InChIKeyWAZYKEMXPKKJES-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.09
Rot. Bonds4

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

2-(2-methoxy-5-methylphenyl)pentan-3-one (PubChem CID 79308264) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)pentan-3-one.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)pentan-3-one
PubChem CID79308264
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-(2-methoxy-5-methylphenyl)pentan-3-one
SMILESCCC(=O)C(C)c1cc(C)ccc1OC
InChIInChI=1S/C13H18O2/c1-5-12(14)10(3)11-8-9(2)6-7-13(11)15-4/h6-8,10H,5H2,1-4H3
InChIKeyWAZYKEMXPKKJES-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate
CID 43732405
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 78813044
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate
CID 115352551
3-chloro-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366778
ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate
CID 105481737
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
3-(2-methoxy-5-methylphenyl)hexanoic acid
CID 112501926
[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 7047666
1-methoxy-2-(1-methoxyethyl)-4-methylbenzene
CID 71396401
2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene
CID 13450101

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)pentan-3-one?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)pentan-3-one (CID 79308264) is 2-(2-methoxy-5-methylphenyl)pentan-3-one.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)pentan-3-one?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)pentan-3-one is CCC(=O)C(C)c1cc(C)ccc1OC.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)pentan-3-one?
The InChIKey is WAZYKEMXPKKJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-5-12(14)10(3)11-8-9(2)6-7-13(11)15-4/h6-8,10H,5H2,1-4H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)pentan-3-one?
2-(2-methoxy-5-methylphenyl)pentan-3-one has a molecular weight of 206.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)pentan-3-one is sourced from PubChem (CID 79308264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).