1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene

C15H16O2S — CID 40513050

IUPAC1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene
SMILESCc1ccc([S@@](=O)CCOc2ccccc2)cc1
InChIInChI=1S/C15H16O2S/c1-13-7-9-15(10-8-13)18(16)12-11-17-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3/t18-/m0/s1
InChIKeyKDIXLMBNMXAKRE-SFHVURJKSA-N
MW260.36 g/mol
LogP3.18
Rot. Bonds5

About 1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene

1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene (PubChem CID 40513050) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene
PubChem CID40513050
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene
SMILESCc1ccc([S@@](=O)CCOc2ccccc2)cc1
InChIInChI=1S/C15H16O2S/c1-13-7-9-15(10-8-13)18(16)12-11-17-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3/t18-/m0/s1
InChIKeyKDIXLMBNMXAKRE-SFHVURJKSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-methylphenyl)sulfinylethoxy]aniline
CID 61303191
2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine
CID 81319743
1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene
CID 14025349
1-methyl-4-(2-phenylethylsulfinyl)benzene
CID 14025348
4-methyl-3-(2-phenoxyethylsulfinyl)aniline
CID 81191188
4-[2-(3-methylphenyl)sulfinylethoxy]aniline
CID 61289269
3-[2-(3-methylphenyl)sulfinylethoxy]aniline
CID 61288690
2-[2-(benzenesulfinyl)ethyl]-1-ethyl-3-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111783764
4-[2-(3,4-dimethylphenyl)sulfinylethoxy]aniline
CID 61302605
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
1-[2-(benzenesulfinyl)ethyl]-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111779924
2-fluoro-4-(3-phenoxypropylsulfinyl)aniline
CID 81191334

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene?
The IUPAC name of 1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene (CID 40513050) is 1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene.
What is the SMILES notation for 1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene?
The canonical SMILES for 1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene is Cc1ccc([S@@](=O)CCOc2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene?
The InChIKey is KDIXLMBNMXAKRE-SFHVURJKSA-N. The full InChI is InChI=1S/C15H16O2S/c1-13-7-9-15(10-8-13)18(16)12-11-17-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3/t18-/m0/s1.
What are the key properties of 1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene?
1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene has a molecular weight of 260.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene is sourced from PubChem (CID 40513050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).