ethyl 6-(2-methylphenyl)-4-oxohexanoate

C15H20O3 — CID 63900705

IUPACethyl 6-(2-methylphenyl)-4-oxohexanoate
SMILESCCOC(=O)CCC(=O)CCc1ccccc1C
InChIInChI=1S/C15H20O3/c1-3-18-15(17)11-10-14(16)9-8-13-7-5-4-6-12(13)2/h4-7H,3,8-11H2,1-2H3
InChIKeyWRNNBZCRBCMEPV-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.84
Rot. Bonds7

About ethyl 6-(2-methylphenyl)-4-oxohexanoate

ethyl 6-(2-methylphenyl)-4-oxohexanoate (PubChem CID 63900705) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 6-(2-methylphenyl)-4-oxohexanoate.

Molecular Properties

Compound Nameethyl 6-(2-methylphenyl)-4-oxohexanoate
PubChem CID63900705
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameethyl 6-(2-methylphenyl)-4-oxohexanoate
SMILESCCOC(=O)CCC(=O)CCc1ccccc1C
InChIInChI=1S/C15H20O3/c1-3-18-15(17)11-10-14(16)9-8-13-7-5-4-6-12(13)2/h4-7H,3,8-11H2,1-2H3
InChIKeyWRNNBZCRBCMEPV-UHFFFAOYSA-N
XLogP2.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
6-methyl-1-(2-methylphenyl)hept-6-en-3-one
CID 105129887
ethyl 5-(2-bromophenyl)-3-oxopentanoate
CID 66856925
N-ethoxy-3-(2-methylphenyl)propanamide
CID 63290155
ethyl 2-[2-(2-methylphenyl)ethylamino]acetate
CID 67794588
ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate
CID 115257571
ethyl 4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110756038
1-(2-methylphenyl)hept-6-yn-3-one
CID 105100824
2-[2-(3-ethoxy-3-oxopropyl)-6-methylphenyl]acetic acid
CID 134614862
ethyl 4-(2-methylphenyl)-4-oxobutanoate
CID 24727317
ethyl 3-(4-bromo-2-methylphenyl)propanoate
CID 124705554
ethyl 3-[2-(2-hydroxyphenyl)phenyl]propanoate
CID 67626781

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-methylphenyl)-4-oxohexanoate?
The IUPAC name of ethyl 6-(2-methylphenyl)-4-oxohexanoate (CID 63900705) is ethyl 6-(2-methylphenyl)-4-oxohexanoate.
What is the SMILES notation for ethyl 6-(2-methylphenyl)-4-oxohexanoate?
The canonical SMILES for ethyl 6-(2-methylphenyl)-4-oxohexanoate is CCOC(=O)CCC(=O)CCc1ccccc1C.
What is the InChIKey of ethyl 6-(2-methylphenyl)-4-oxohexanoate?
The InChIKey is WRNNBZCRBCMEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-18-15(17)11-10-14(16)9-8-13-7-5-4-6-12(13)2/h4-7H,3,8-11H2,1-2H3.
What are the key properties of ethyl 6-(2-methylphenyl)-4-oxohexanoate?
ethyl 6-(2-methylphenyl)-4-oxohexanoate has a molecular weight of 248.32 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-methylphenyl)-4-oxohexanoate is sourced from PubChem (CID 63900705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).