1-(2-ethoxy-6-methylphenyl)ethanone

C11H14O2 — CID 54221624

IUPAC1-(2-ethoxy-6-methylphenyl)ethanone
SMILESCCOc1cccc(C)c1C(C)=O
InChIInChI=1S/C11H14O2/c1-4-13-10-7-5-6-8(2)11(10)9(3)12/h5-7H,4H2,1-3H3
InChIKeyQCZFKLBUQAJMPH-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.60
Rot. Bonds3

About 1-(2-ethoxy-6-methylphenyl)ethanone

1-(2-ethoxy-6-methylphenyl)ethanone (PubChem CID 54221624) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(2-ethoxy-6-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxy-6-methylphenyl)ethanone
PubChem CID54221624
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-(2-ethoxy-6-methylphenyl)ethanone
SMILESCCOc1cccc(C)c1C(C)=O
InChIInChI=1S/C11H14O2/c1-4-13-10-7-5-6-8(2)11(10)9(3)12/h5-7H,4H2,1-3H3
InChIKeyQCZFKLBUQAJMPH-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxy-6-ethylphenyl)ethanone
CID 147544535
1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone
CID 170996692
1-(3-ethoxy-2-iodo-6-methylphenyl)ethanone
CID 171013372
ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate
CID 10585223
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
2-ethoxy-6-methylphenol
CID 14911944
1-[2,6-bis(hydroxymethoxy)phenyl]ethanone
CID 69072315
carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium
CID 159397931
1-(2-ethoxy-3-methylphenyl)ethanone
CID 82074964
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
ethyl 2,6-dimethylbenzoate
CID 520807
3-bromo-1-(2,6-diethoxyphenyl)propan-1-one
CID 134624450

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-6-methylphenyl)ethanone?
The IUPAC name of 1-(2-ethoxy-6-methylphenyl)ethanone (CID 54221624) is 1-(2-ethoxy-6-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-ethoxy-6-methylphenyl)ethanone?
The canonical SMILES for 1-(2-ethoxy-6-methylphenyl)ethanone is CCOc1cccc(C)c1C(C)=O.
What is the InChIKey of 1-(2-ethoxy-6-methylphenyl)ethanone?
The InChIKey is QCZFKLBUQAJMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-4-13-10-7-5-6-8(2)11(10)9(3)12/h5-7H,4H2,1-3H3.
What are the key properties of 1-(2-ethoxy-6-methylphenyl)ethanone?
1-(2-ethoxy-6-methylphenyl)ethanone has a molecular weight of 178.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-6-methylphenyl)ethanone is sourced from PubChem (CID 54221624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).