ethane;methoxymethane;1-(2-methylphenyl)ethanone

C13H22O2 — CID 90975384

IUPACethane;methoxymethane;1-(2-methylphenyl)ethanone
SMILESCC.CC(=O)c1ccccc1C.COC
InChIInChI=1S/C9H10O.C2H6O.C2H6/c1-7-5-3-4-6-9(7)8(2)10;1-3-2;1-2/h3-6H,1-2H3;1-2H3;1-2H3
InChIKeyCZEWJQPJGNGBEV-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.49
Rot. Bonds1

About ethane;methoxymethane;1-(2-methylphenyl)ethanone

ethane;methoxymethane;1-(2-methylphenyl)ethanone (PubChem CID 90975384) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is ethane;methoxymethane;1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Nameethane;methoxymethane;1-(2-methylphenyl)ethanone
PubChem CID90975384
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nameethane;methoxymethane;1-(2-methylphenyl)ethanone
SMILESCC.CC(=O)c1ccccc1C.COC
InChIInChI=1S/C9H10O.C2H6O.C2H6/c1-7-5-3-4-6-9(7)8(2)10;1-3-2;1-2/h3-6H,1-2H3;1-2H3;1-2H3
InChIKeyCZEWJQPJGNGBEV-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(2-methylphenyl)ethanone
CID 91374073
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
ethane;1-(2-methylphenyl)ethanone;prop-1-ene
CID 171517790
1-(2-methylphenyl)ethanone;1-phenylethanone
CID 160893925
ethane;methane;methyl 2-methylbenzoate
CID 168902289
2,2,2-trideuterio-1-(2-methylphenyl)ethanone
CID 10486909
2,2-dimethoxy-1-(2-methylphenyl)propan-1-one
CID 175032812
[(Z)-1-(2-methylphenyl)ethylideneamino] acetate
CID 118122967
1-(2-acetylphenyl)ethanone;methane
CID 158210616
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
2-methylbenzamide;molecular hydrogen
CID 177161283
2-methylbenzoic acid;propan-2-one;1,2-xylene
CID 68779004

Frequently Asked Questions

What is the IUPAC name of ethane;methoxymethane;1-(2-methylphenyl)ethanone?
The IUPAC name of ethane;methoxymethane;1-(2-methylphenyl)ethanone (CID 90975384) is ethane;methoxymethane;1-(2-methylphenyl)ethanone.
What is the SMILES notation for ethane;methoxymethane;1-(2-methylphenyl)ethanone?
The canonical SMILES for ethane;methoxymethane;1-(2-methylphenyl)ethanone is CC.CC(=O)c1ccccc1C.COC.
What is the InChIKey of ethane;methoxymethane;1-(2-methylphenyl)ethanone?
The InChIKey is CZEWJQPJGNGBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C2H6O.C2H6/c1-7-5-3-4-6-9(7)8(2)10;1-3-2;1-2/h3-6H,1-2H3;1-2H3;1-2H3.
What are the key properties of ethane;methoxymethane;1-(2-methylphenyl)ethanone?
ethane;methoxymethane;1-(2-methylphenyl)ethanone has a molecular weight of 210.32 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxymethane;1-(2-methylphenyl)ethanone is sourced from PubChem (CID 90975384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).