2-(2-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile

C17H11NO2S — CID 134911456

IUPAC2-(2-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile
SMILESCOc1ccccc1-c1oc2ccccc2c(=S)c1C#N
InChIInChI=1S/C17H11NO2S/c1-19-14-8-4-2-6-11(14)16-13(10-18)17(21)12-7-3-5-9-15(12)20-16/h2-9H,1H3
InChIKeyAJZUATSPUVQYEX-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.71
Rot. Bonds2

About 2-(2-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile

2-(2-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile (PubChem CID 134911456) has the molecular formula C17H11NO2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile
PubChem CID134911456
Molecular FormulaC17H11NO2S
Molecular Weight293.35 g/mol
Exact Mass293.05
IUPAC Name2-(2-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile
SMILESCOc1ccccc1-c1oc2ccccc2c(=S)c1C#N
InChIInChI=1S/C17H11NO2S/c1-19-14-8-4-2-6-11(14)16-13(10-18)17(21)12-7-3-5-9-15(12)20-16/h2-9H,1H3
InChIKeyAJZUATSPUVQYEX-UHFFFAOYSA-N
XLogP4.71
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile
CID 134911345
3-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676169
2-(4-nitrophenyl)-4-sulfanylidenechromene-3-carbonitrile
CID 134910896
[2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate
CID 67869250
2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid
CID 20983860
3-(2-methoxyphenyl)-1,2-dimethyldibenzofuran
CID 170175004
4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
CID 3721414
ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate
CID 139291625
2,3-diamino-6-(2-methoxyphenyl)benzonitrile
CID 25241803
4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one
CID 135259598
5-(2,4-dimethoxyphenyl)furan-2,3,4-tricarbonitrile
CID 102500191
1-methoxydibenzofuran-2-carbonitrile
CID 140513066

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile?
The IUPAC name of 2-(2-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile (CID 134911456) is 2-(2-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile is COc1ccccc1-c1oc2ccccc2c(=S)c1C#N.
What is the InChIKey of 2-(2-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile?
The InChIKey is AJZUATSPUVQYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2S/c1-19-14-8-4-2-6-11(14)16-13(10-18)17(21)12-7-3-5-9-15(12)20-16/h2-9H,1H3.
What are the key properties of 2-(2-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile?
2-(2-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile has a molecular weight of 293.35 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile is sourced from PubChem (CID 134911456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).