1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one

C15H20O — CID 63351672

IUPAC1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(CCC(=O)C2CC2)c(C)c1
InChIInChI=1S/C15H20O/c1-10-8-11(2)14(12(3)9-10)6-7-15(16)13-4-5-13/h8-9,13H,4-7H2,1-3H3
InChIKeyDZBALRSGZGTPEM-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.52
Rot. Bonds4

About 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one

1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one (PubChem CID 63351672) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one
PubChem CID63351672
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(CCC(=O)C2CC2)c(C)c1
InChIInChI=1S/C15H20O/c1-10-8-11(2)14(12(3)9-10)6-7-15(16)13-4-5-13/h8-9,13H,4-7H2,1-3H3
InChIKeyDZBALRSGZGTPEM-UHFFFAOYSA-N
XLogP3.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one?
The IUPAC name of 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one (CID 63351672) is 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one?
The canonical SMILES for 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one is Cc1cc(C)c(CCC(=O)C2CC2)c(C)c1.
What is the InChIKey of 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one?
The InChIKey is DZBALRSGZGTPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-10-8-11(2)14(12(3)9-10)6-7-15(16)13-4-5-13/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one?
1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one has a molecular weight of 216.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one is sourced from PubChem (CID 63351672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).