2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone

C13H18O3 — CID 82053950

IUPAC2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
SMILESCOCC(=O)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C13H18O3/c1-9(2)10-5-6-13(16-4)11(7-10)12(14)8-15-3/h5-7,9H,8H2,1-4H3
InChIKeyRVDRXUQSJNEJSI-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.65
Rot. Bonds5

About 2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone

2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone (PubChem CID 82053950) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
PubChem CID82053950
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
SMILESCOCC(=O)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C13H18O3/c1-9(2)10-5-6-13(16-4)11(7-10)12(14)8-15-3/h5-7,9H,8H2,1-4H3
InChIKeyRVDRXUQSJNEJSI-UHFFFAOYSA-N
XLogP2.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-propan-2-ylphenyl)pentane-1,4-dione
CID 94689449
2-(aziridin-1-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 94685963
1-(2-methoxy-5-propan-2-ylphenyl)butane-1,2-dione
CID 94686155
1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
CID 82053961
1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one
CID 82282797
2-(hydroxymethyl)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-one
CID 116923029
2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 116826142
3-amino-4-(2-methoxy-5-propan-2-ylphenyl)-4-oxobutanoic acid
CID 82349179
1-[5-(difluoromethyl)-2-methoxyphenyl]-2-(methylamino)ethanone
CID 117330012
2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82053664
1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110800214
2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid
CID 112514676

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone (CID 82053950) is 2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone is COCC(=O)c1cc(C(C)C)ccc1OC.
What is the InChIKey of 2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone?
The InChIKey is RVDRXUQSJNEJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9(2)10-5-6-13(16-4)11(7-10)12(14)8-15-3/h5-7,9H,8H2,1-4H3.
What are the key properties of 2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone?
2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone has a molecular weight of 222.28 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 82053950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).