1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one

C16H24O2 — CID 83225132

IUPAC1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one
SMILESCCCC(=O)C(OC)c1ccc(CC(C)C)cc1
InChIInChI=1S/C16H24O2/c1-5-6-15(17)16(18-4)14-9-7-13(8-10-14)11-12(2)3/h7-10,12,16H,5-6,11H2,1-4H3
InChIKeyBLWWZZYFJBIUIA-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.94
Rot. Bonds7

About 1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one

1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one (PubChem CID 83225132) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one.

Molecular Properties

Compound Name1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one
PubChem CID83225132
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one
SMILESCCCC(=O)C(OC)c1ccc(CC(C)C)cc1
InChIInChI=1S/C16H24O2/c1-5-6-15(17)16(18-4)14-9-7-13(8-10-14)11-12(2)3/h7-10,12,16H,5-6,11H2,1-4H3
InChIKeyBLWWZZYFJBIUIA-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-1-methoxypentan-2-one
CID 83225390
1-methoxy-1-(4-propan-2-yloxyphenyl)pentan-2-one
CID 83226792
2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid
CID 83224518
1-[4-(2-methylpropyl)phenyl]-1-propoxypropan-2-one
CID 83226310
1-methoxy-4-methyl-1-phenylpentan-2-one
CID 86204563
2-methoxy-2-(4-propylphenyl)acetamide
CID 91163100
ethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate
CID 135062979
[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684
methyl 5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoate
CID 82347165
CID 175760114
CID 175760114
methyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 10987436
ethane;3-[4-(2-methylpropyl)phenyl]butan-2-one
CID 144564568

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one?
The IUPAC name of 1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one (CID 83225132) is 1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one.
What is the SMILES notation for 1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one?
The canonical SMILES for 1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one is CCCC(=O)C(OC)c1ccc(CC(C)C)cc1.
What is the InChIKey of 1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one?
The InChIKey is BLWWZZYFJBIUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-6-15(17)16(18-4)14-9-7-13(8-10-14)11-12(2)3/h7-10,12,16H,5-6,11H2,1-4H3.
What are the key properties of 1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one?
1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one has a molecular weight of 248.37 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one is sourced from PubChem (CID 83225132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).