1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one

C13H18O2 — CID 114998408

IUPAC1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one
SMILESCc1ccccc1C(=O)CCOC(C)C
InChIInChI=1S/C13H18O2/c1-10(2)15-9-8-13(14)12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3
InChIKeyYDMXIDMLCJEUIS-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.99
Rot. Bonds5

About 1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one

1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one (PubChem CID 114998408) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one
PubChem CID114998408
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one
SMILESCc1ccccc1C(=O)CCOC(C)C
InChIInChI=1S/C13H18O2/c1-10(2)15-9-8-13(14)12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3
InChIKeyYDMXIDMLCJEUIS-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-(2-methylphenyl)hexane-1,4-dione
CID 58283906
5-methyl-1-(2-methylphenyl)hexan-1-one
CID 83157538
2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone
CID 166958709
ethyl 4-(2-methylphenyl)-4-oxobutanoate
CID 24727317
1-(2-methylphenyl)undecan-1-one
CID 63409592
3-methyl-1-(2-methylphenyl)pentan-1-one
CID 62620781
1-(2-methylphenyl)nonan-1-one
CID 63409672
8-(2-methylphenyl)-8-oxooctanoic acid
CID 24726897
1-(2-methylphenyl)-4-phenylbutan-1-one
CID 62621150
1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794597
1-(3,5-difluorophenyl)-3-propan-2-yloxypropan-1-one
CID 115003065
2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate
CID 78831089

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one?
The IUPAC name of 1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one (CID 114998408) is 1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one.
What is the SMILES notation for 1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one?
The canonical SMILES for 1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one is Cc1ccccc1C(=O)CCOC(C)C.
What is the InChIKey of 1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one?
The InChIKey is YDMXIDMLCJEUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(2)15-9-8-13(14)12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one?
1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one has a molecular weight of 206.29 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one is sourced from PubChem (CID 114998408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).