(2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone

C14H18O — CID 43159909

IUPAC(2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CC2C)c(C)c1
InChIInChI=1S/C14H18O/c1-8-5-10(3)13(11(4)6-8)14(15)12-7-9(12)2/h5-6,9,12H,7H2,1-4H3
InChIKeyROYGPMIPLDWPHY-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.45
Rot. Bonds2

About (2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone

(2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 43159909) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone
PubChem CID43159909
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CC2C)c(C)c1
InChIInChI=1S/C14H18O/c1-8-5-10(3)13(11(4)6-8)14(15)12-7-9(12)2/h5-6,9,12H,7H2,1-4H3
InChIKeyROYGPMIPLDWPHY-UHFFFAOYSA-N
XLogP3.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone (CID 43159909) is (2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2CC2C)c(C)c1.
What is the InChIKey of (2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is ROYGPMIPLDWPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-8-5-10(3)13(11(4)6-8)14(15)12-7-9(12)2/h5-6,9,12H,7H2,1-4H3.
What are the key properties of (2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone?
(2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 202.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 43159909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).