ethane;1-(3-methylphenyl)ethanone;molecular hydrogen

C11H18O — CID 143647766

IUPACethane;1-(3-methylphenyl)ethanone;molecular hydrogen
SMILESCC.CC(=O)c1cccc(C)c1.[H][H]
InChIInChI=1S/C9H10O.C2H6.H2/c1-7-4-3-5-9(6-7)8(2)10;1-2;/h3-6H,1-2H3;1-2H3;1H
InChIKeySECXVTNOGPDVRV-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.47
Rot. Bonds1

About ethane;1-(3-methylphenyl)ethanone;molecular hydrogen

ethane;1-(3-methylphenyl)ethanone;molecular hydrogen (PubChem CID 143647766) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is ethane;1-(3-methylphenyl)ethanone;molecular hydrogen.

Molecular Properties

Compound Nameethane;1-(3-methylphenyl)ethanone;molecular hydrogen
PubChem CID143647766
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Nameethane;1-(3-methylphenyl)ethanone;molecular hydrogen
SMILESCC.CC(=O)c1cccc(C)c1.[H][H]
InChIInChI=1S/C9H10O.C2H6.H2/c1-7-4-3-5-9(6-7)8(2)10;1-2;/h3-6H,1-2H3;1-2H3;1H
InChIKeySECXVTNOGPDVRV-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;1-(3-methylphenyl)ethanone;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

argon;ethane;3-methylbenzamide;molecular hydrogen
CID 144862945
bis(3-methylphenyl)methanone
CID 17848
3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one
CID 123185506
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
3-methylbenzoic acid
CID 7418
(3-methylbenzoyl)azanium
CID 153183849
ethane;molecular hydrogen;1-phenylethanone
CID 143067772
3-methylbenzenecarboselenoic Se-acid
CID 166513879
ethane;2-(3-methylphenyl)-2-oxoacetaldehyde
CID 90798157
ethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone
CID 160788394
1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone
CID 54912743
(4-acetylphenyl) 3-methylbenzoate
CID 795319

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methylphenyl)ethanone;molecular hydrogen?
The IUPAC name of ethane;1-(3-methylphenyl)ethanone;molecular hydrogen (CID 143647766) is ethane;1-(3-methylphenyl)ethanone;molecular hydrogen.
What is the SMILES notation for ethane;1-(3-methylphenyl)ethanone;molecular hydrogen?
The canonical SMILES for ethane;1-(3-methylphenyl)ethanone;molecular hydrogen is CC.CC(=O)c1cccc(C)c1.[H][H].
What is the InChIKey of ethane;1-(3-methylphenyl)ethanone;molecular hydrogen?
The InChIKey is SECXVTNOGPDVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C2H6.H2/c1-7-4-3-5-9(6-7)8(2)10;1-2;/h3-6H,1-2H3;1-2H3;1H.
What are the key properties of ethane;1-(3-methylphenyl)ethanone;molecular hydrogen?
ethane;1-(3-methylphenyl)ethanone;molecular hydrogen has a molecular weight of 166.26 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methylphenyl)ethanone;molecular hydrogen is sourced from PubChem (CID 143647766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).