1-(2,4,6-trimethyl-3-prop-2-enylphenyl)ethanone

C14H18O — CID 20647497

IUPAC1-(2,4,6-trimethyl-3-prop-2-enylphenyl)ethanone
SMILESC=CCc1c(C)cc(C)c(C(C)=O)c1C
InChIInChI=1S/C14H18O/c1-6-7-13-9(2)8-10(3)14(11(13)4)12(5)15/h6,8H,1,7H2,2-5H3
InChIKeyMIKZBOYSUUJCIY-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.54
Rot. Bonds3

About 1-(2,4,6-trimethyl-3-prop-2-enylphenyl)ethanone

1-(2,4,6-trimethyl-3-prop-2-enylphenyl)ethanone (PubChem CID 20647497) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(2,4,6-trimethyl-3-prop-2-enylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4,6-trimethyl-3-prop-2-enylphenyl)ethanone
PubChem CID20647497
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-(2,4,6-trimethyl-3-prop-2-enylphenyl)ethanone
SMILESC=CCc1c(C)cc(C)c(C(C)=O)c1C
InChIInChI=1S/C14H18O/c1-6-7-13-9(2)8-10(3)14(11(13)4)12(5)15/h6,8H,1,7H2,2-5H3
InChIKeyMIKZBOYSUUJCIY-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethyl-3-prop-2-enylphenyl)ethanone?
The IUPAC name of 1-(2,4,6-trimethyl-3-prop-2-enylphenyl)ethanone (CID 20647497) is 1-(2,4,6-trimethyl-3-prop-2-enylphenyl)ethanone.
What is the SMILES notation for 1-(2,4,6-trimethyl-3-prop-2-enylphenyl)ethanone?
The canonical SMILES for 1-(2,4,6-trimethyl-3-prop-2-enylphenyl)ethanone is C=CCc1c(C)cc(C)c(C(C)=O)c1C.
What is the InChIKey of 1-(2,4,6-trimethyl-3-prop-2-enylphenyl)ethanone?
The InChIKey is MIKZBOYSUUJCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-6-7-13-9(2)8-10(3)14(11(13)4)12(5)15/h6,8H,1,7H2,2-5H3.
What are the key properties of 1-(2,4,6-trimethyl-3-prop-2-enylphenyl)ethanone?
1-(2,4,6-trimethyl-3-prop-2-enylphenyl)ethanone has a molecular weight of 202.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethyl-3-prop-2-enylphenyl)ethanone is sourced from PubChem (CID 20647497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).