7-methoxy-3-(4-nitrophenyl)chromen-2-imine

C16H12N2O4 — CID 53356330

IUPAC7-methoxy-3-(4-nitrophenyl)chromen-2-imine
SMILES[H]/N=c1\oc2cc(OC)ccc2cc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12N2O4/c1-21-13-7-4-11-8-14(16(17)22-15(11)9-13)10-2-5-12(6-3-10)18(19)20/h2-9,17H,1H3/b17-16-
InChIKeyTYHYBNXFXIHHRO-MSUUIHNZSA-N
MW296.28 g/mol
LogP3.50
Rot. Bonds3

About 7-methoxy-3-(4-nitrophenyl)chromen-2-imine

7-methoxy-3-(4-nitrophenyl)chromen-2-imine (PubChem CID 53356330) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 7-methoxy-3-(4-nitrophenyl)chromen-2-imine.

Molecular Properties

Compound Name7-methoxy-3-(4-nitrophenyl)chromen-2-imine
PubChem CID53356330
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name7-methoxy-3-(4-nitrophenyl)chromen-2-imine
SMILES[H]/N=c1\oc2cc(OC)ccc2cc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12N2O4/c1-21-13-7-4-11-8-14(16(17)22-15(11)9-13)10-2-5-12(6-3-10)18(19)20/h2-9,17H,1H3/b17-16-
InChIKeyTYHYBNXFXIHHRO-MSUUIHNZSA-N
XLogP3.50
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-(4-nitrophenyl)-1-benzofuran
CID 11680584
2-imino-7-methoxychromene-3-carbonitrile
CID 11401381
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962
2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide
CID 19573970
2-methyl-6-(4-nitrophenyl)-5-phenyl-1-benzofuran
CID 174494373
3-(4-bromophenyl)-7-methoxychromen-2-one
CID 688900
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide
CID 4276831
1-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrrole-2,5-diol
CID 91899191
2-imino-7-nitrochromene-3-carbothioamide
CID 175404681
2-(4-methoxyphenyl)-6-nitro-1,3-benzoxazole
CID 887499

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(4-nitrophenyl)chromen-2-imine?
The IUPAC name of 7-methoxy-3-(4-nitrophenyl)chromen-2-imine (CID 53356330) is 7-methoxy-3-(4-nitrophenyl)chromen-2-imine.
What is the SMILES notation for 7-methoxy-3-(4-nitrophenyl)chromen-2-imine?
The canonical SMILES for 7-methoxy-3-(4-nitrophenyl)chromen-2-imine is [H]/N=c1\oc2cc(OC)ccc2cc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 7-methoxy-3-(4-nitrophenyl)chromen-2-imine?
The InChIKey is TYHYBNXFXIHHRO-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-21-13-7-4-11-8-14(16(17)22-15(11)9-13)10-2-5-12(6-3-10)18(19)20/h2-9,17H,1H3/b17-16-.
What are the key properties of 7-methoxy-3-(4-nitrophenyl)chromen-2-imine?
7-methoxy-3-(4-nitrophenyl)chromen-2-imine has a molecular weight of 296.28 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(4-nitrophenyl)chromen-2-imine is sourced from PubChem (CID 53356330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).