phenyl-(2,3,6-trimethylphenyl)methanone

C16H16O — CID 14151231

IUPACphenyl-(2,3,6-trimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2ccccc2)c1C
InChIInChI=1S/C16H16O/c1-11-9-10-12(2)15(13(11)3)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKeyQIWZNFDKWYOXNT-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.84
Rot. Bonds2

About phenyl-(2,3,6-trimethylphenyl)methanone

phenyl-(2,3,6-trimethylphenyl)methanone (PubChem CID 14151231) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is phenyl-(2,3,6-trimethylphenyl)methanone.

Molecular Properties

Compound Namephenyl-(2,3,6-trimethylphenyl)methanone
PubChem CID14151231
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Namephenyl-(2,3,6-trimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2ccccc2)c1C
InChIInChI=1S/C16H16O/c1-11-9-10-12(2)15(13(11)3)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKeyQIWZNFDKWYOXNT-UHFFFAOYSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone
CID 5259949
3-benzoyl-2,4,6-trimethylbenzoic acid
CID 90027498
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
(2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone
CID 174405898
oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium
CID 141016786
(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone
CID 86183747
lithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide
CID 141016257
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838

Frequently Asked Questions

What is the IUPAC name of phenyl-(2,3,6-trimethylphenyl)methanone?
The IUPAC name of phenyl-(2,3,6-trimethylphenyl)methanone (CID 14151231) is phenyl-(2,3,6-trimethylphenyl)methanone.
What is the SMILES notation for phenyl-(2,3,6-trimethylphenyl)methanone?
The canonical SMILES for phenyl-(2,3,6-trimethylphenyl)methanone is Cc1ccc(C)c(C(=O)c2ccccc2)c1C.
What is the InChIKey of phenyl-(2,3,6-trimethylphenyl)methanone?
The InChIKey is QIWZNFDKWYOXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-11-9-10-12(2)15(13(11)3)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3.
What are the key properties of phenyl-(2,3,6-trimethylphenyl)methanone?
phenyl-(2,3,6-trimethylphenyl)methanone has a molecular weight of 224.30 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2,3,6-trimethylphenyl)methanone is sourced from PubChem (CID 14151231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).