7-methoxy-2-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carbonitrile

C20H19NO5 — CID 10316054

IUPAC7-methoxy-2-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carbonitrile
SMILESCOc1ccc2c(c1)OC(c1cc(OC)c(OC)c(OC)c1)C(C#N)=C2
InChIInChI=1S/C20H19NO5/c1-22-15-6-5-12-7-14(11-21)19(26-16(12)10-15)13-8-17(23-2)20(25-4)18(9-13)24-3/h5-10,19H,1-4H3
InChIKeyMGSHDHPTWIYEQZ-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.76
Rot. Bonds5

About 7-methoxy-2-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carbonitrile

7-methoxy-2-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carbonitrile (PubChem CID 10316054) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 7-methoxy-2-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carbonitrile.

Molecular Properties

Compound Name7-methoxy-2-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carbonitrile
PubChem CID10316054
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name7-methoxy-2-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carbonitrile
SMILESCOc1ccc2c(c1)OC(c1cc(OC)c(OC)c(OC)c1)C(C#N)=C2
InChIInChI=1S/C20H19NO5/c1-22-15-6-5-12-7-14(11-21)19(26-16(12)10-15)13-8-17(23-2)20(25-4)18(9-13)24-3/h5-10,19H,1-4H3
InChIKeyMGSHDHPTWIYEQZ-UHFFFAOYSA-N
XLogP3.76
TPSA69.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carbonitrile?
The IUPAC name of 7-methoxy-2-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carbonitrile (CID 10316054) is 7-methoxy-2-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carbonitrile.
What is the SMILES notation for 7-methoxy-2-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carbonitrile?
The canonical SMILES for 7-methoxy-2-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carbonitrile is COc1ccc2c(c1)OC(c1cc(OC)c(OC)c(OC)c1)C(C#N)=C2.
What is the InChIKey of 7-methoxy-2-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carbonitrile?
The InChIKey is MGSHDHPTWIYEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-22-15-6-5-12-7-14(11-21)19(26-16(12)10-15)13-8-17(23-2)20(25-4)18(9-13)24-3/h5-10,19H,1-4H3.
What are the key properties of 7-methoxy-2-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carbonitrile?
7-methoxy-2-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carbonitrile has a molecular weight of 353.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carbonitrile is sourced from PubChem (CID 10316054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).