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

C17H11NO2S — CID 134911345

IUPAC2-(4-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile
SMILESCOc1ccc(-c2oc3ccccc3c(=S)c2C#N)cc1
InChIInChI=1S/C17H11NO2S/c1-19-12-8-6-11(7-9-12)16-14(10-18)17(21)13-4-2-3-5-15(13)20-16/h2-9H,1H3
InChIKeyDKPHIORDRXMOLY-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.71
Rot. Bonds2

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

2-(4-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile (PubChem CID 134911345) has the molecular formula C17H11NO2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile
PubChem CID134911345
Molecular FormulaC17H11NO2S
Molecular Weight293.35 g/mol
Exact Mass293.05
IUPAC Name2-(4-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile
SMILESCOc1ccc(-c2oc3ccccc3c(=S)c2C#N)cc1
InChIInChI=1S/C17H11NO2S/c1-19-12-8-6-11(7-9-12)16-14(10-18)17(21)13-4-2-3-5-15(13)20-16/h2-9H,1H3
InChIKeyDKPHIORDRXMOLY-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-(2-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile
CID 134911456
2-(4-nitrophenyl)-4-sulfanylidenechromene-3-carbonitrile
CID 134910896
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran
CID 71608239
2-(4-methoxyphenyl)-1-benzofuran-3-amine
CID 102535586
7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile
CID 71378369
2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 12550686
4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile
CID 10391863
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 46303348
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide
CID 46303344
[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 54105837
(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran
CID 135057387

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile?
The IUPAC name of 2-(4-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile (CID 134911345) is 2-(4-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile is COc1ccc(-c2oc3ccccc3c(=S)c2C#N)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile?
The InChIKey is DKPHIORDRXMOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2S/c1-19-12-8-6-11(7-9-12)16-14(10-18)17(21)13-4-2-3-5-15(13)20-16/h2-9H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile?
2-(4-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-(4-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile is sourced from PubChem (CID 134911345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).