1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane

C13H20O3 — CID 144776470

IUPAC1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane
SMILESCC.COc1cc(C)cc(C(C)=O)c1OC
InChIInChI=1S/C11H14O3.C2H6/c1-7-5-9(8(2)12)11(14-4)10(6-7)13-3;1-2/h5-6H,1-4H3;1-2H3
InChIKeyIEHZJZYHPVPLRN-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.24
Rot. Bonds3

About 1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane

1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane (PubChem CID 144776470) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane.

Molecular Properties

Compound Name1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane
PubChem CID144776470
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane
SMILESCC.COc1cc(C)cc(C(C)=O)c1OC
InChIInChI=1S/C11H14O3.C2H6/c1-7-5-9(8(2)12)11(14-4)10(6-7)13-3;1-2/h5-6H,1-4H3;1-2H3
InChIKeyIEHZJZYHPVPLRN-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-amino-2,3-dimethoxyphenyl)ethanone
CID 142498186
3-acetyl-2-methoxy-5-methylcyclohepta-2,4,6-trien-1-one
CID 14948663
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
2-amino-3-methoxy-5-methylbenzoate
CID 9442555
1-(3-acetyl-4-methoxy-5-methylphenyl)ethanone
CID 158699125
3-methoxy-5-methylphthalic acid
CID 12908895
1-(1,8-dimethoxy-3,6-dimethylnaphthalen-2-yl)ethanone
CID 872909
3-methoxy-5-methyl-2-(trifluoromethylsulfonyloxy)benzoic acid
CID 10990645
ethyl 2-amino-3-methoxy-5-methylbenzoate
CID 54595934
(2-acetyl-5-acetyloxy-4,6,8-trimethoxynaphthalen-1-yl) acetate
CID 11509078
1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone
CID 83885925
1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone
CID 11333653

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane?
The IUPAC name of 1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane (CID 144776470) is 1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane.
What is the SMILES notation for 1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane?
The canonical SMILES for 1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane is CC.COc1cc(C)cc(C(C)=O)c1OC.
What is the InChIKey of 1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane?
The InChIKey is IEHZJZYHPVPLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.C2H6/c1-7-5-9(8(2)12)11(14-4)10(6-7)13-3;1-2/h5-6H,1-4H3;1-2H3.
What are the key properties of 1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane?
1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane has a molecular weight of 224.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane is sourced from PubChem (CID 144776470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).