(2-methoxy-2-phenylethyl)sulfanylbenzene

C15H16OS — CID 14979141

IUPAC(2-methoxy-2-phenylethyl)sulfanylbenzene
SMILESCOC(CSc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16OS/c1-16-15(13-8-4-2-5-9-13)12-17-14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyHFRHZNOQOGRUMM-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.17
Rot. Bonds5

About (2-methoxy-2-phenylethyl)sulfanylbenzene

(2-methoxy-2-phenylethyl)sulfanylbenzene (PubChem CID 14979141) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is (2-methoxy-2-phenylethyl)sulfanylbenzene.

Molecular Properties

Compound Name(2-methoxy-2-phenylethyl)sulfanylbenzene
PubChem CID14979141
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name(2-methoxy-2-phenylethyl)sulfanylbenzene
SMILESCOC(CSc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16OS/c1-16-15(13-8-4-2-5-9-13)12-17-14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyHFRHZNOQOGRUMM-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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US8815951, Epoxide Hydrolase Inhibitor 4
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Benzyl S-phenyl thiocarbonate
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1-methyl-4-[(E)-3-phenylmethoxyprop-1-enyl]sulfonylbenzene
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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-phenylethyl)sulfanylbenzene?
The IUPAC name of (2-methoxy-2-phenylethyl)sulfanylbenzene (CID 14979141) is (2-methoxy-2-phenylethyl)sulfanylbenzene.
What is the SMILES notation for (2-methoxy-2-phenylethyl)sulfanylbenzene?
The canonical SMILES for (2-methoxy-2-phenylethyl)sulfanylbenzene is COC(CSc1ccccc1)c1ccccc1.
What is the InChIKey of (2-methoxy-2-phenylethyl)sulfanylbenzene?
The InChIKey is HFRHZNOQOGRUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-16-15(13-8-4-2-5-9-13)12-17-14-10-6-3-7-11-14/h2-11,15H,12H2,1H3.
What are the key properties of (2-methoxy-2-phenylethyl)sulfanylbenzene?
(2-methoxy-2-phenylethyl)sulfanylbenzene has a molecular weight of 244.36 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-phenylethyl)sulfanylbenzene is sourced from PubChem (CID 14979141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).