1-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone

C17H18O2S — CID 62765201

IUPAC1-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
SMILESCOc1ccccc1C(=O)CSCc1cccc(C)c1
InChIInChI=1S/C17H18O2S/c1-13-6-5-7-14(10-13)11-20-12-16(18)15-8-3-4-9-17(15)19-2/h3-10H,11-12H2,1-2H3
InChIKeyLLQMLMMOPMGWSF-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.12
Rot. Bonds6

About 1-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone

1-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone (PubChem CID 62765201) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
PubChem CID62765201
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name1-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
SMILESCOc1ccccc1C(=O)CSCc1cccc(C)c1
InChIInChI=1S/C17H18O2S/c1-13-6-5-7-14(10-13)11-20-12-16(18)15-8-3-4-9-17(15)19-2/h3-10H,11-12H2,1-2H3
InChIKeyLLQMLMMOPMGWSF-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-1-(2-methoxyphenyl)ethanone
CID 43218473
1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 62766577
2-(2-hydroxyethylsulfanyl)-1-(2-methoxyphenyl)ethanone
CID 43801820
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 60639224
2-(3-hydroxypropylsulfanyl)-1-(2-methoxyphenyl)ethanone
CID 66125952
1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone
CID 94271270
2-[(3-methylphenyl)methylsulfanylmethyl]benzoic acid
CID 62769683
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone
CID 61481684
[2-methoxy-5-[(3-methylphenyl)methylsulfanylmethyl]phenyl]boronic acid
CID 62766582
[2-(2-methoxyphenyl)-2-oxoethyl] (E)-3-(3-methylphenyl)prop-2-enoate
CID 7882514
N-(2-benzylsulfanylethyl)-2-methoxy-5-methylbenzamide
CID 9470342

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone?
The IUPAC name of 1-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone (CID 62765201) is 1-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone is COc1ccccc1C(=O)CSCc1cccc(C)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone?
The InChIKey is LLQMLMMOPMGWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-13-6-5-7-14(10-13)11-20-12-16(18)15-8-3-4-9-17(15)19-2/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone?
1-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone has a molecular weight of 286.40 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone is sourced from PubChem (CID 62765201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).