1-[2-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]ethanone

C17H18O3S — CID 61292258

IUPAC1-[2-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]ethanone
SMILESCOc1ccccc1SCCOc1ccccc1C(C)=O
InChIInChI=1S/C17H18O3S/c1-13(18)14-7-3-4-8-15(14)20-11-12-21-17-10-6-5-9-16(17)19-2/h3-10H,11-12H2,1-2H3
InChIKeyRULHJFSBIMGISI-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.07
Rot. Bonds7

About 1-[2-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]ethanone

1-[2-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]ethanone (PubChem CID 61292258) has the molecular formula C17H18O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]ethanone
PubChem CID61292258
Molecular FormulaC17H18O3S
Molecular Weight302.40 g/mol
Exact Mass302.10
IUPAC Name1-[2-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]ethanone
SMILESCOc1ccccc1SCCOc1ccccc1C(C)=O
InChIInChI=1S/C17H18O3S/c1-13(18)14-7-3-4-8-15(14)20-11-12-21-17-10-6-5-9-16(17)19-2/h3-10H,11-12H2,1-2H3
InChIKeyRULHJFSBIMGISI-UHFFFAOYSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(2,4-dimethylphenyl)sulfanylethoxy]phenyl]ethanone
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1-[2-[2-(1-phenylethylsulfanyl)ethoxy]phenyl]ethanone
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CID 64788575
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CID 77061098
1-[2-[2-(3-amino-2-methylpropyl)sulfanylethoxy]phenyl]ethanone
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1-[2-(4-methylpentoxy)phenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]ethanone (CID 61292258) is 1-[2-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]ethanone is COc1ccccc1SCCOc1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]ethanone?
The InChIKey is RULHJFSBIMGISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3S/c1-13(18)14-7-3-4-8-15(14)20-11-12-21-17-10-6-5-9-16(17)19-2/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-[2-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]ethanone?
1-[2-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]ethanone has a molecular weight of 302.40 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]ethanone is sourced from PubChem (CID 61292258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).