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

C13H18O2 — CID 83224446

IUPAC1-methoxy-1-(4-propan-2-ylphenyl)propan-2-one
SMILESCOC(C(C)=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H18O2/c1-9(2)11-5-7-12(8-6-11)13(15-4)10(3)14/h5-9,13H,1-4H3
InChIKeyQXGFTOBURWZOTL-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.09
Rot. Bonds4

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

1-methoxy-1-(4-propan-2-ylphenyl)propan-2-one (PubChem CID 83224446) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-methoxy-1-(4-propan-2-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-methoxy-1-(4-propan-2-ylphenyl)propan-2-one
PubChem CID83224446
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-methoxy-1-(4-propan-2-ylphenyl)propan-2-one
SMILESCOC(C(C)=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H18O2/c1-9(2)11-5-7-12(8-6-11)13(15-4)10(3)14/h5-9,13H,1-4H3
InChIKeyQXGFTOBURWZOTL-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-1-(4-propan-2-yloxyphenyl)propan-2-one
CID 83224743
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
acetic acid;cumene
CID 172767405
1-(2,6-dimethylphenyl)-1-methoxypropan-2-one
CID 83224357
2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid
CID 116769538
1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one
CID 14813833
1,4-di(propan-2-yl)benzene;phosphoric acid
CID 174794178
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 28524219
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
butan-2-one;1-methyl-4-propan-2-ylbenzene
CID 163264285
2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 112685779

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-(4-propan-2-ylphenyl)propan-2-one?
The IUPAC name of 1-methoxy-1-(4-propan-2-ylphenyl)propan-2-one (CID 83224446) is 1-methoxy-1-(4-propan-2-ylphenyl)propan-2-one.
What is the SMILES notation for 1-methoxy-1-(4-propan-2-ylphenyl)propan-2-one?
The canonical SMILES for 1-methoxy-1-(4-propan-2-ylphenyl)propan-2-one is COC(C(C)=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-methoxy-1-(4-propan-2-ylphenyl)propan-2-one?
The InChIKey is QXGFTOBURWZOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9(2)11-5-7-12(8-6-11)13(15-4)10(3)14/h5-9,13H,1-4H3.
What are the key properties of 1-methoxy-1-(4-propan-2-ylphenyl)propan-2-one?
1-methoxy-1-(4-propan-2-ylphenyl)propan-2-one has a molecular weight of 206.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-(4-propan-2-ylphenyl)propan-2-one is sourced from PubChem (CID 83224446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).