1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone

C13H18O2 — CID 20716286

IUPAC1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCC(C)C)cc1C
InChIInChI=1S/C13H18O2/c1-9(2)8-15-12-5-6-13(11(4)14)10(3)7-12/h5-7,9H,8H2,1-4H3
InChIKeyBCQNGAKCVODOER-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.23
Rot. Bonds4

About 1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone

1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone (PubChem CID 20716286) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
PubChem CID20716286
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCC(C)C)cc1C
InChIInChI=1S/C13H18O2/c1-9(2)8-15-12-5-6-13(11(4)14)10(3)7-12/h5-7,9H,8H2,1-4H3
InChIKeyBCQNGAKCVODOER-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-methyl-4-(2-methylpropoxy)phenyl]-5-oxopentanoic acid
CID 82264546
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
[2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone
CID 141021495
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
1-[4-(3-bromopropoxy)-2-methylphenyl]ethanone
CID 11777949
2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
[2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone
CID 82553649
4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one
CID 83937000
[2-methyl-4-(2-methylpropoxy)phenyl]boronic acid
CID 83140010
(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 786610
4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid
CID 155925871
3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid
CID 83958510

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone?
The IUPAC name of 1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone (CID 20716286) is 1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone is CC(=O)c1ccc(OCC(C)C)cc1C.
What is the InChIKey of 1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone?
The InChIKey is BCQNGAKCVODOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9(2)8-15-12-5-6-13(11(4)14)10(3)7-12/h5-7,9H,8H2,1-4H3.
What are the key properties of 1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone?
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone has a molecular weight of 206.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone is sourced from PubChem (CID 20716286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).