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

C15H20O — CID 43159748

IUPAC(2-methylcyclopropyl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)C2CC2C)c1C
InChIInChI=1S/C15H20O/c1-8-6-9(2)12(5)14(11(8)4)15(16)13-7-10(13)3/h6,10,13H,7H2,1-5H3
InChIKeyHICRSUSXZCKLJV-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.76
Rot. Bonds2

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

(2-methylcyclopropyl)-(2,3,5,6-tetramethylphenyl)methanone (PubChem CID 43159748) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (2-methylcyclopropyl)-(2,3,5,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Name(2-methylcyclopropyl)-(2,3,5,6-tetramethylphenyl)methanone
PubChem CID43159748
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(2-methylcyclopropyl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)C2CC2C)c1C
InChIInChI=1S/C15H20O/c1-8-6-9(2)12(5)14(11(8)4)15(16)13-7-10(13)3/h6,10,13H,7H2,1-5H3
InChIKeyHICRSUSXZCKLJV-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-(2,3,5,6-tetramethylphenyl)methanone?
The IUPAC name of (2-methylcyclopropyl)-(2,3,5,6-tetramethylphenyl)methanone (CID 43159748) is (2-methylcyclopropyl)-(2,3,5,6-tetramethylphenyl)methanone.
What is the SMILES notation for (2-methylcyclopropyl)-(2,3,5,6-tetramethylphenyl)methanone?
The canonical SMILES for (2-methylcyclopropyl)-(2,3,5,6-tetramethylphenyl)methanone is Cc1cc(C)c(C)c(C(=O)C2CC2C)c1C.
What is the InChIKey of (2-methylcyclopropyl)-(2,3,5,6-tetramethylphenyl)methanone?
The InChIKey is HICRSUSXZCKLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-8-6-9(2)12(5)14(11(8)4)15(16)13-7-10(13)3/h6,10,13H,7H2,1-5H3.
What are the key properties of (2-methylcyclopropyl)-(2,3,5,6-tetramethylphenyl)methanone?
(2-methylcyclopropyl)-(2,3,5,6-tetramethylphenyl)methanone has a molecular weight of 216.32 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-(2,3,5,6-tetramethylphenyl)methanone is sourced from PubChem (CID 43159748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).