2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile

C15H13NO2S — CID 91876567

IUPAC2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile
SMILESCOc1ccc(Sc2ccc(OC)c(C#N)c2)cc1
InChIInChI=1S/C15H13NO2S/c1-17-12-3-5-13(6-4-12)19-14-7-8-15(18-2)11(9-14)10-16/h3-9H,1-2H3
InChIKeyPKGVWNPTCVTAOX-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.73
Rot. Bonds4

About 2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile

2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile (PubChem CID 91876567) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile.

Molecular Properties

Compound Name2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile
PubChem CID91876567
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile
SMILESCOc1ccc(Sc2ccc(OC)c(C#N)c2)cc1
InChIInChI=1S/C15H13NO2S/c1-17-12-3-5-13(6-4-12)19-14-7-8-15(18-2)11(9-14)10-16/h3-9H,1-2H3
InChIKeyPKGVWNPTCVTAOX-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-methoxy-5-(4-methoxyphenyl)benzonitrile
CID 59113876
2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile
CID 10778161
2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
CID 91876566
1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
CID 176734451
4-(4-methoxyphenyl)sulfanylbenzene-1,3-dicarbonitrile
CID 91878360
2-(4-methoxyphenyl)sulfanyl-5-methylbenzonitrile
CID 114017345
5-amino-2-(4-methoxyphenyl)sulfanylbenzonitrile
CID 2769212
4-[4-[[4-(3,4-dicyanophenyl)sulfanylphenyl]methyl]phenyl]sulfanylbenzene-1,2-dicarbonitrile
CID 26723151
2-methoxy-4-methylsulfanylbenzonitrile
CID 91881052
1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
CID 91879154
4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile
CID 81305970
4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile
CID 81302751

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile?
The IUPAC name of 2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile (CID 91876567) is 2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile.
What is the SMILES notation for 2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile?
The canonical SMILES for 2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile is COc1ccc(Sc2ccc(OC)c(C#N)c2)cc1.
What is the InChIKey of 2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile?
The InChIKey is PKGVWNPTCVTAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-17-12-3-5-13(6-4-12)19-14-7-8-15(18-2)11(9-14)10-16/h3-9H,1-2H3.
What are the key properties of 2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile?
2-methoxy-5-(4-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-5-(4-methoxyphenyl)sulfanylbenzonitrile is sourced from PubChem (CID 91876567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).