ethane;phenyl-(2,4,6-trimethylphenyl)methanone

C18H22O — CID 90795600

IUPACethane;phenyl-(2,4,6-trimethylphenyl)methanone
SMILESCC.Cc1cc(C)c(C(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C16H16O.C2H6/c1-11-9-12(2)15(13(3)10-11)16(17)14-7-5-4-6-8-14;1-2/h4-10H,1-3H3;1-2H3
InChIKeyHFGXXGSNNLTCKH-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.87
Rot. Bonds2

About ethane;phenyl-(2,4,6-trimethylphenyl)methanone

ethane;phenyl-(2,4,6-trimethylphenyl)methanone (PubChem CID 90795600) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is ethane;phenyl-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Nameethane;phenyl-(2,4,6-trimethylphenyl)methanone
PubChem CID90795600
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Nameethane;phenyl-(2,4,6-trimethylphenyl)methanone
SMILESCC.Cc1cc(C)c(C(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C16H16O.C2H6/c1-11-9-12(2)15(13(3)10-11)16(17)14-7-5-4-6-8-14;1-2/h4-10H,1-3H3;1-2H3
InChIKeyHFGXXGSNNLTCKH-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;phenyl-(2,4,6-trimethylphenyl)methanone 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

oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone
CID 158212605
diphenylmethanone;ethane;toluene
CID 157406780
diphenylmethanone;ethane
CID 158014879
3-benzoyl-2,4,6-trimethylbenzoic acid
CID 90027498
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
1,3,5-trimethyl-2-[phenyl(sulfinyl)methyl]benzene
CID 12660448
diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium
CID 69491265
oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 174367673
4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
CID 684747
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
(9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane
CID 160533610

Frequently Asked Questions

What is the IUPAC name of ethane;phenyl-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of ethane;phenyl-(2,4,6-trimethylphenyl)methanone (CID 90795600) is ethane;phenyl-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for ethane;phenyl-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for ethane;phenyl-(2,4,6-trimethylphenyl)methanone is CC.Cc1cc(C)c(C(=O)c2ccccc2)c(C)c1.
What is the InChIKey of ethane;phenyl-(2,4,6-trimethylphenyl)methanone?
The InChIKey is HFGXXGSNNLTCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O.C2H6/c1-11-9-12(2)15(13(3)10-11)16(17)14-7-5-4-6-8-14;1-2/h4-10H,1-3H3;1-2H3.
What are the key properties of ethane;phenyl-(2,4,6-trimethylphenyl)methanone?
ethane;phenyl-(2,4,6-trimethylphenyl)methanone has a molecular weight of 254.37 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;phenyl-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 90795600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).