1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one

C13H18O2 — CID 117114917

IUPAC1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one
SMILESCOC(C)(C)c1ccccc1CC(C)=O
InChIInChI=1S/C13H18O2/c1-10(14)9-11-7-5-6-8-12(11)13(2,3)15-4/h5-8H,9H2,1-4H3
InChIKeyAYRGPRDKVBLVEY-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.70
Rot. Bonds4

About 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one

1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one (PubChem CID 117114917) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one
PubChem CID117114917
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one
SMILESCOC(C)(C)c1ccccc1CC(C)=O
InChIInChI=1S/C13H18O2/c1-10(14)9-11-7-5-6-8-12(11)13(2,3)15-4/h5-8H,9H2,1-4H3
InChIKeyAYRGPRDKVBLVEY-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid
CID 117111517
N-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine
CID 117110998
1-[2-(2-methoxy-2-methylpropyl)phenyl]propan-2-one
CID 117114928
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol
CID 117114443
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
N-[2-(2-methoxypropan-2-yl)phenyl]acetamide
CID 12541862
2-(2-methoxypropan-2-yl)benzoic acid
CID 117111487
[2-(2-oxopropyl)phenyl] 2,2-dimethylpropanoate
CID 13066161
1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene
CID 129279587
1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one
CID 69366475
1-[2-(methoxymethyl)phenyl]propan-2-one
CID 83874886
methyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate
CID 159229214

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one?
The IUPAC name of 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one (CID 117114917) is 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one?
The canonical SMILES for 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one is COC(C)(C)c1ccccc1CC(C)=O.
What is the InChIKey of 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one?
The InChIKey is AYRGPRDKVBLVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(14)9-11-7-5-6-8-12(11)13(2,3)15-4/h5-8H,9H2,1-4H3.
What are the key properties of 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one?
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one has a molecular weight of 206.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one is sourced from PubChem (CID 117114917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).