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

C15H13NO2S — CID 81302751

IUPAC4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile
SMILESCOc1ccc(C#N)c(Sc2ccccc2OC)c1
InChIInChI=1S/C15H13NO2S/c1-17-12-8-7-11(10-16)15(9-12)19-14-6-4-3-5-13(14)18-2/h3-9H,1-2H3
InChIKeySBJRMRKOJMXSJB-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.73
Rot. Bonds4

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

4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile (PubChem CID 81302751) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile.

Molecular Properties

Compound Name4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile
PubChem CID81302751
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile
SMILESCOc1ccc(C#N)c(Sc2ccccc2OC)c1
InChIInChI=1S/C15H13NO2S/c1-17-12-8-7-11(10-16)15(9-12)19-14-6-4-3-5-13(14)18-2/h3-9H,1-2H3
InChIKeySBJRMRKOJMXSJB-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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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-4-methoxybenzonitrile
CID 81303890
4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid
CID 81309619
3-fluoro-4-(2-methoxyphenyl)sulfanylbenzonitrile
CID 61296343
2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile
CID 63886061
2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile
CID 10778161
4-methoxy-2-(4-methylpyrimidin-2-yl)sulfanylbenzonitrile
CID 81303148
3-(2-methoxyphenyl)sulfanylpyridazine-4-carbonitrile
CID 80514163
2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile
CID 91876567
4-chloro-2-(3-methoxyphenyl)sulfanylbenzonitrile
CID 63092064
4-methoxy-2-[2-(trifluoromethyl)phenoxy]benzonitrile
CID 81296767
2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid
CID 81303665
4-methoxy-2-(oxetan-3-ylsulfanyl)benzonitrile
CID 81302651

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile?
The IUPAC name of 4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile (CID 81302751) is 4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile.
What is the SMILES notation for 4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile?
The canonical SMILES for 4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile is COc1ccc(C#N)c(Sc2ccccc2OC)c1.
What is the InChIKey of 4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile?
The InChIKey is SBJRMRKOJMXSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-17-12-8-7-11(10-16)15(9-12)19-14-6-4-3-5-13(14)18-2/h3-9H,1-2H3.
What are the key properties of 4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile?
4-methoxy-2-(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 4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile is sourced from PubChem (CID 81302751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).