1-methoxy-1-(4-propan-2-yloxyphenyl)propan-2-one

C13H18O3 — CID 83224743

IUPAC1-methoxy-1-(4-propan-2-yloxyphenyl)propan-2-one
SMILESCOC(C(C)=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C13H18O3/c1-9(2)16-12-7-5-11(6-8-12)13(15-4)10(3)14/h5-9,13H,1-4H3
InChIKeyZUWZBZMRZCHEKG-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.75
Rot. Bonds5

About 1-methoxy-1-(4-propan-2-yloxyphenyl)propan-2-one

1-methoxy-1-(4-propan-2-yloxyphenyl)propan-2-one (PubChem CID 83224743) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-methoxy-1-(4-propan-2-yloxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-methoxy-1-(4-propan-2-yloxyphenyl)propan-2-one
PubChem CID83224743
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-methoxy-1-(4-propan-2-yloxyphenyl)propan-2-one
SMILESCOC(C(C)=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C13H18O3/c1-9(2)16-12-7-5-11(6-8-12)13(15-4)10(3)14/h5-9,13H,1-4H3
InChIKeyZUWZBZMRZCHEKG-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-1-(4-propan-2-ylphenyl)propan-2-one
CID 83224446
1-methoxy-1-(4-propan-2-yloxyphenyl)pentan-2-one
CID 83226792
methyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932725
1-(4-propan-2-yloxyphenyl)-1-propoxybutan-2-one
CID 83225636
(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 28945621
2-(4-propan-2-yloxyphenyl)pentan-3-one
CID 79308465
(3R)-3-[4-[(2S)-3-oxobutan-2-yl]oxyphenoxy]butan-2-one
CID 1489408
2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 6081951
1-(difluoromethyl)-4-propan-2-yloxybenzene
CID 130057921
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
1-chloro-1-(4-propan-2-yloxyphenyl)butan-2-one
CID 82161492

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-(4-propan-2-yloxyphenyl)propan-2-one?
The IUPAC name of 1-methoxy-1-(4-propan-2-yloxyphenyl)propan-2-one (CID 83224743) is 1-methoxy-1-(4-propan-2-yloxyphenyl)propan-2-one.
What is the SMILES notation for 1-methoxy-1-(4-propan-2-yloxyphenyl)propan-2-one?
The canonical SMILES for 1-methoxy-1-(4-propan-2-yloxyphenyl)propan-2-one is COC(C(C)=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 1-methoxy-1-(4-propan-2-yloxyphenyl)propan-2-one?
The InChIKey is ZUWZBZMRZCHEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9(2)16-12-7-5-11(6-8-12)13(15-4)10(3)14/h5-9,13H,1-4H3.
What are the key properties of 1-methoxy-1-(4-propan-2-yloxyphenyl)propan-2-one?
1-methoxy-1-(4-propan-2-yloxyphenyl)propan-2-one has a molecular weight of 222.28 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-(4-propan-2-yloxyphenyl)propan-2-one is sourced from PubChem (CID 83224743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).