1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one

C13H18O2 — CID 58044331

IUPAC1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(OC(C)(C)C)c1
InChIInChI=1S/C13H18O2/c1-10(14)8-11-6-5-7-12(9-11)15-13(2,3)4/h5-7,9H,8H2,1-4H3
InChIKeyQHMFGPXKSGIGBZ-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.00
Rot. Bonds3

About 1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one

1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one (PubChem CID 58044331) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
PubChem CID58044331
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(OC(C)(C)C)c1
InChIInChI=1S/C13H18O2/c1-10(14)8-11-6-5-7-12(9-11)15-13(2,3)4/h5-7,9H,8H2,1-4H3
InChIKeyQHMFGPXKSGIGBZ-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-hydroxy-4-methylpentoxy)phenyl]propan-2-one
CID 143361348
2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol
CID 14794070
2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid
CID 69488903
[3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride
CID 126802306
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 68701338
1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one
CID 117114961
1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one
CID 117114916
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one
CID 84665532
ethyl 2-[3-(2-oxopropyl)phenoxy]acetate
CID 59846798
1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene
CID 54025707
1-(3-chlorophenyl)propan-2-one
CID 2734097
1-(3-acetylphenyl)propan-2-one
CID 12950417

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one?
The IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one (CID 58044331) is 1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one.
What is the SMILES notation for 1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one?
The canonical SMILES for 1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one is CC(=O)Cc1cccc(OC(C)(C)C)c1.
What is the InChIKey of 1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one?
The InChIKey is QHMFGPXKSGIGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(14)8-11-6-5-7-12(9-11)15-13(2,3)4/h5-7,9H,8H2,1-4H3.
What are the key properties of 1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one?
1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one has a molecular weight of 206.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one is sourced from PubChem (CID 58044331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).