1-(2,3,4,5,6-pentamethylphenyl)propan-1-one

C14H20O — CID 2803272

IUPAC1-(2,3,4,5,6-pentamethylphenyl)propan-1-one
SMILESCCC(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C14H20O/c1-7-13(15)14-11(5)9(3)8(2)10(4)12(14)6/h7H2,1-6H3
InChIKeyDMSGZSYJORVDHE-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.82
Rot. Bonds2

About 1-(2,3,4,5,6-pentamethylphenyl)propan-1-one

1-(2,3,4,5,6-pentamethylphenyl)propan-1-one (PubChem CID 2803272) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentamethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentamethylphenyl)propan-1-one
PubChem CID2803272
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-(2,3,4,5,6-pentamethylphenyl)propan-1-one
SMILESCCC(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C14H20O/c1-7-13(15)14-11(5)9(3)8(2)10(4)12(14)6/h7H2,1-6H3
InChIKeyDMSGZSYJORVDHE-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentamethylphenyl)propan-1-one?
The IUPAC name of 1-(2,3,4,5,6-pentamethylphenyl)propan-1-one (CID 2803272) is 1-(2,3,4,5,6-pentamethylphenyl)propan-1-one.
What is the SMILES notation for 1-(2,3,4,5,6-pentamethylphenyl)propan-1-one?
The canonical SMILES for 1-(2,3,4,5,6-pentamethylphenyl)propan-1-one is CCC(=O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 1-(2,3,4,5,6-pentamethylphenyl)propan-1-one?
The InChIKey is DMSGZSYJORVDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-7-13(15)14-11(5)9(3)8(2)10(4)12(14)6/h7H2,1-6H3.
What are the key properties of 1-(2,3,4,5,6-pentamethylphenyl)propan-1-one?
1-(2,3,4,5,6-pentamethylphenyl)propan-1-one has a molecular weight of 204.31 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentamethylphenyl)propan-1-one is sourced from PubChem (CID 2803272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).