2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one

C15H24O2 — CID 143304952

IUPAC2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
SMILESCC(C)(C)C.CCC(=O)c1ccc(OC)cc1
InChIInChI=1S/C10H12O2.C5H12/c1-3-10(11)8-4-6-9(12-2)7-5-8;1-5(2,3)4/h4-7H,3H2,1-2H3;1-4H3
InChIKeyMDXFKHFDURWFEN-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.34
Rot. Bonds3

About 2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one

2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one (PubChem CID 143304952) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
PubChem CID143304952
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
SMILESCC(C)(C)C.CCC(=O)c1ccc(OC)cc1
InChIInChI=1S/C10H12O2.C5H12/c1-3-10(11)8-4-6-9(12-2)7-5-8;1-5(2,3)4/h4-7H,3H2,1-2H3;1-4H3
InChIKeyMDXFKHFDURWFEN-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-bromo-1-(4-methoxyphenyl)heptan-1-one
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CID 112687937

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one (CID 143304952) is 2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one is CC(C)(C)C.CCC(=O)c1ccc(OC)cc1.
What is the InChIKey of 2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one?
The InChIKey is MDXFKHFDURWFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C5H12/c1-3-10(11)8-4-6-9(12-2)7-5-8;1-5(2,3)4/h4-7H,3H2,1-2H3;1-4H3.
What are the key properties of 2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one?
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one has a molecular weight of 236.35 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 143304952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).