ethane;1-(2-methylphenyl)ethanone

C11H16O — CID 91374073

IUPACethane;1-(2-methylphenyl)ethanone
SMILESCC.CC(=O)c1ccccc1C
InChIInChI=1S/C9H10O.C2H6/c1-7-5-3-4-6-9(7)8(2)10;1-2/h3-6H,1-2H3;1-2H3
InChIKeyVUUWAMXPXLYQFL-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.22
Rot. Bonds1

About ethane;1-(2-methylphenyl)ethanone

ethane;1-(2-methylphenyl)ethanone (PubChem CID 91374073) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is ethane;1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Nameethane;1-(2-methylphenyl)ethanone
PubChem CID91374073
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Nameethane;1-(2-methylphenyl)ethanone
SMILESCC.CC(=O)c1ccccc1C
InChIInChI=1S/C9H10O.C2H6/c1-7-5-3-4-6-9(7)8(2)10;1-2/h3-6H,1-2H3;1-2H3
InChIKeyVUUWAMXPXLYQFL-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
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
2,2,2-trideuterio-1-(2-methylphenyl)ethanone
CID 10486909
1-(2-acetylphenyl)ethanone;methane
CID 158210616
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
2-methylbenzoic acid;propan-2-one;1,2-xylene
CID 68779004
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
1-(5-methylnaphthalen-1-yl)ethanone
CID 15563480
[(Z)-1-(2-methylphenyl)ethylideneamino] acetate
CID 118122967

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methylphenyl)ethanone?
The IUPAC name of ethane;1-(2-methylphenyl)ethanone (CID 91374073) is ethane;1-(2-methylphenyl)ethanone.
What is the SMILES notation for ethane;1-(2-methylphenyl)ethanone?
The canonical SMILES for ethane;1-(2-methylphenyl)ethanone is CC.CC(=O)c1ccccc1C.
What is the InChIKey of ethane;1-(2-methylphenyl)ethanone?
The InChIKey is VUUWAMXPXLYQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C2H6/c1-7-5-3-4-6-9(7)8(2)10;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-methylphenyl)ethanone?
ethane;1-(2-methylphenyl)ethanone has a molecular weight of 164.25 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methylphenyl)ethanone is sourced from PubChem (CID 91374073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).