1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one

C13H18O2 — CID 82051543

IUPAC1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
SMILESCCC(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C13H18O2/c1-5-12(14)11-6-7-13(10(4)8-11)15-9(2)3/h6-9H,5H2,1-4H3
InChIKeyZPZKCOBLMVLPFP-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.37
Rot. Bonds4

About 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one

1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one (PubChem CID 82051543) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
PubChem CID82051543
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
SMILESCCC(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C13H18O2/c1-5-12(14)11-6-7-13(10(4)8-11)15-9(2)3/h6-9H,5H2,1-4H3
InChIKeyZPZKCOBLMVLPFP-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-4-propan-2-yloxyphenyl)butan-1-one
CID 82051544
methyl 3-(3-methyl-4-propan-2-yloxyphenyl)-3-oxopropanoate
CID 95461156
2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82051566
N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide
CID 110762336
methyl 3-methyl-4-propan-2-yloxybenzoate
CID 58439062
2-methyl-1-(3-methyl-4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 82285504
2,2,2-trifluoro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82295021
(1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 82289722
2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82051568
1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one
CID 82267817
1-(3-tert-butyl-4-propan-2-yloxyphenyl)butan-1-one
CID 82263816
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one?
The IUPAC name of 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one (CID 82051543) is 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one?
The canonical SMILES for 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one is CCC(=O)c1ccc(OC(C)C)c(C)c1.
What is the InChIKey of 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one?
The InChIKey is ZPZKCOBLMVLPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-5-12(14)11-6-7-13(10(4)8-11)15-9(2)3/h6-9H,5H2,1-4H3.
What are the key properties of 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one?
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one has a molecular weight of 206.28 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one is sourced from PubChem (CID 82051543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).