1-(2-methoxy-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethanone

C14H20O2S — CID 65137967

IUPAC1-(2-methoxy-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethanone
SMILESCOc1ccc(C)cc1C(=O)CSCC(C)C
InChIInChI=1S/C14H20O2S/c1-10(2)8-17-9-13(15)12-7-11(3)5-6-14(12)16-4/h5-7,10H,8-9H2,1-4H3
InChIKeyYQHLZWOWUPZYGJ-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.58
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethanone

1-(2-methoxy-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethanone (PubChem CID 65137967) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethanone
PubChem CID65137967
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethanone
SMILESCOc1ccc(C)cc1C(=O)CSCC(C)C
InChIInChI=1S/C14H20O2S/c1-10(2)8-17-9-13(15)12-7-11(3)5-6-14(12)16-4/h5-7,10H,8-9H2,1-4H3
InChIKeyYQHLZWOWUPZYGJ-UHFFFAOYSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 60625228
2-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 66102960
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43220189
1-[5-methyl-2-(2-methylpropoxy)phenyl]-2-propan-2-ylsulfanylethanone
CID 82052022
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 115795319
1-(2-methoxy-5-methylphenyl)pentane-1,4-dione
CID 94682943
3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 62796966
1-(2,5-dimethylthiophen-3-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 43222252
1-(3,4-dimethylphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412803
2-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]sulfanyl-N,N-dimethylacetamide
CID 114234153
1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43232339
1-(2-methoxy-5-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 47088425

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethanone?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethanone (CID 65137967) is 1-(2-methoxy-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethanone.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethanone?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethanone is COc1ccc(C)cc1C(=O)CSCC(C)C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethanone?
The InChIKey is YQHLZWOWUPZYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-10(2)8-17-9-13(15)12-7-11(3)5-6-14(12)16-4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethanone?
1-(2-methoxy-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethanone has a molecular weight of 252.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethanone is sourced from PubChem (CID 65137967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).