3-N,4-N-dimethoxy-2-phenylchromene-3,4-diimine

C17H16N2O3 — CID 10325529

IUPAC3-N,4-N-dimethoxy-2-phenylchromene-3,4-diimine
SMILESCO/N=C1C(=N\OC)/C(c2ccccc2)Oc2ccccc2/1
InChIInChI=1S/C17H16N2O3/c1-20-18-15-13-10-6-7-11-14(13)22-17(16(15)19-21-2)12-8-4-3-5-9-12/h3-11,17H,1-2H3/b18-15+,19-16+
InChIKeyOLNFEHMYEWRINC-GTLAIDDRSA-N
MW296.33 g/mol
LogP3.17
Rot. Bonds3

About 3-N,4-N-dimethoxy-2-phenylchromene-3,4-diimine

3-N,4-N-dimethoxy-2-phenylchromene-3,4-diimine (PubChem CID 10325529) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-N,4-N-dimethoxy-2-phenylchromene-3,4-diimine.

Molecular Properties

Compound Name3-N,4-N-dimethoxy-2-phenylchromene-3,4-diimine
PubChem CID10325529
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-N,4-N-dimethoxy-2-phenylchromene-3,4-diimine
SMILESCO/N=C1C(=N\OC)/C(c2ccccc2)Oc2ccccc2/1
InChIInChI=1S/C17H16N2O3/c1-20-18-15-13-10-6-7-11-14(13)22-17(16(15)19-21-2)12-8-4-3-5-9-12/h3-11,17H,1-2H3/b18-15+,19-16+
InChIKeyOLNFEHMYEWRINC-GTLAIDDRSA-N
XLogP3.17
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-dimethoxy-2-phenylchromene-3,4-diimine?
The IUPAC name of 3-N,4-N-dimethoxy-2-phenylchromene-3,4-diimine (CID 10325529) is 3-N,4-N-dimethoxy-2-phenylchromene-3,4-diimine.
What is the SMILES notation for 3-N,4-N-dimethoxy-2-phenylchromene-3,4-diimine?
The canonical SMILES for 3-N,4-N-dimethoxy-2-phenylchromene-3,4-diimine is CO/N=C1C(=N\OC)/C(c2ccccc2)Oc2ccccc2/1.
What is the InChIKey of 3-N,4-N-dimethoxy-2-phenylchromene-3,4-diimine?
The InChIKey is OLNFEHMYEWRINC-GTLAIDDRSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-20-18-15-13-10-6-7-11-14(13)22-17(16(15)19-21-2)12-8-4-3-5-9-12/h3-11,17H,1-2H3/b18-15+,19-16+.
What are the key properties of 3-N,4-N-dimethoxy-2-phenylchromene-3,4-diimine?
3-N,4-N-dimethoxy-2-phenylchromene-3,4-diimine has a molecular weight of 296.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-dimethoxy-2-phenylchromene-3,4-diimine is sourced from PubChem (CID 10325529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).