1-(2-methoxy-4-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone

C14H20O4S — CID 64642175

IUPAC1-(2-methoxy-4-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CS(=O)(=O)CC(C)C
InChIInChI=1S/C14H20O4S/c1-10(2)8-19(16,17)9-13(15)12-6-5-11(3)7-14(12)18-4/h5-7,10H,8-9H2,1-4H3
InChIKeyUYEQOPIWIUDMAR-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.26
Rot. Bonds6

About 1-(2-methoxy-4-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone

1-(2-methoxy-4-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone (PubChem CID 64642175) has the molecular formula C14H20O4S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone
PubChem CID64642175
Molecular FormulaC14H20O4S
Molecular Weight284.38 g/mol
Exact Mass284.11
IUPAC Name1-(2-methoxy-4-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CS(=O)(=O)CC(C)C
InChIInChI=1S/C14H20O4S/c1-10(2)8-19(16,17)9-13(15)12-6-5-11(3)7-14(12)18-4/h5-7,10H,8-9H2,1-4H3
InChIKeyUYEQOPIWIUDMAR-UHFFFAOYSA-N
XLogP2.26
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 2-methoxy-4-methylbenzoate
CID 141306404
1-(3-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone
CID 64641630
2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide
CID 23409030
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 43232681
2-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 66102960
1-(2-methoxy-4-methylphenyl)-2-(2-methylsulfonylethylsulfinyl)ethanone
CID 64635480
2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone
CID 104563929
1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone
CID 62029110
1-(2-methoxy-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 114209847
1-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
CID 62024881
2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 23409029

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone (CID 64642175) is 1-(2-methoxy-4-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone is COc1cc(C)ccc1C(=O)CS(=O)(=O)CC(C)C.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone?
The InChIKey is UYEQOPIWIUDMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4S/c1-10(2)8-19(16,17)9-13(15)12-6-5-11(3)7-14(12)18-4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone?
1-(2-methoxy-4-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone has a molecular weight of 284.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone is sourced from PubChem (CID 64642175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).