phenyl-(2,3,5,6-tetramethylphenyl)methanone

C17H18O — CID 4195306

IUPACphenyl-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)c2ccccc2)c1C
InChIInChI=1S/C17H18O/c1-11-10-12(2)14(4)16(13(11)3)17(18)15-8-6-5-7-9-15/h5-10H,1-4H3
InChIKeySYWIOWXMHAQPTK-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.15
Rot. Bonds2

About phenyl-(2,3,5,6-tetramethylphenyl)methanone

phenyl-(2,3,5,6-tetramethylphenyl)methanone (PubChem CID 4195306) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is phenyl-(2,3,5,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Namephenyl-(2,3,5,6-tetramethylphenyl)methanone
PubChem CID4195306
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Namephenyl-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)c2ccccc2)c1C
InChIInChI=1S/C17H18O/c1-11-10-12(2)14(4)16(13(11)3)17(18)15-8-6-5-7-9-15/h5-10H,1-4H3
InChIKeySYWIOWXMHAQPTK-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenyl-(2,3,5,6-tetramethylphenyl)methanone?
The IUPAC name of phenyl-(2,3,5,6-tetramethylphenyl)methanone (CID 4195306) is phenyl-(2,3,5,6-tetramethylphenyl)methanone.
What is the SMILES notation for phenyl-(2,3,5,6-tetramethylphenyl)methanone?
The canonical SMILES for phenyl-(2,3,5,6-tetramethylphenyl)methanone is Cc1cc(C)c(C)c(C(=O)c2ccccc2)c1C.
What is the InChIKey of phenyl-(2,3,5,6-tetramethylphenyl)methanone?
The InChIKey is SYWIOWXMHAQPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-11-10-12(2)14(4)16(13(11)3)17(18)15-8-6-5-7-9-15/h5-10H,1-4H3.
What are the key properties of phenyl-(2,3,5,6-tetramethylphenyl)methanone?
phenyl-(2,3,5,6-tetramethylphenyl)methanone has a molecular weight of 238.33 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2,3,5,6-tetramethylphenyl)methanone is sourced from PubChem (CID 4195306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).