2-methoxy-4-(2-methoxyphenyl)sulfanylbenzonitrile

C15H13NO2S — CID 44565206

IUPAC2-methoxy-4-(2-methoxyphenyl)sulfanylbenzonitrile
SMILESCOc1cc(Sc2ccccc2OC)ccc1C#N
InChIInChI=1S/C15H13NO2S/c1-17-13-5-3-4-6-15(13)19-12-8-7-11(10-16)14(9-12)18-2/h3-9H,1-2H3
InChIKeyWQGGJJSMEMAVIF-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.73
Rot. Bonds4

About 2-methoxy-4-(2-methoxyphenyl)sulfanylbenzonitrile

2-methoxy-4-(2-methoxyphenyl)sulfanylbenzonitrile (PubChem CID 44565206) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-methoxy-4-(2-methoxyphenyl)sulfanylbenzonitrile.

Molecular Properties

Compound Name2-methoxy-4-(2-methoxyphenyl)sulfanylbenzonitrile
PubChem CID44565206
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name2-methoxy-4-(2-methoxyphenyl)sulfanylbenzonitrile
SMILESCOc1cc(Sc2ccccc2OC)ccc1C#N
InChIInChI=1S/C15H13NO2S/c1-17-13-5-3-4-6-15(13)19-12-8-7-11(10-16)14(9-12)18-2/h3-9H,1-2H3
InChIKeyWQGGJJSMEMAVIF-UHFFFAOYSA-N
XLogP3.73
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-methoxyphenyl)sulfanylbenzonitrile?
The IUPAC name of 2-methoxy-4-(2-methoxyphenyl)sulfanylbenzonitrile (CID 44565206) is 2-methoxy-4-(2-methoxyphenyl)sulfanylbenzonitrile.
What is the SMILES notation for 2-methoxy-4-(2-methoxyphenyl)sulfanylbenzonitrile?
The canonical SMILES for 2-methoxy-4-(2-methoxyphenyl)sulfanylbenzonitrile is COc1cc(Sc2ccccc2OC)ccc1C#N.
What is the InChIKey of 2-methoxy-4-(2-methoxyphenyl)sulfanylbenzonitrile?
The InChIKey is WQGGJJSMEMAVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-17-13-5-3-4-6-15(13)19-12-8-7-11(10-16)14(9-12)18-2/h3-9H,1-2H3.
What are the key properties of 2-methoxy-4-(2-methoxyphenyl)sulfanylbenzonitrile?
2-methoxy-4-(2-methoxyphenyl)sulfanylbenzonitrile has a molecular weight of 271.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2-methoxyphenyl)sulfanylbenzonitrile is sourced from PubChem (CID 44565206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).