7-[(2-methoxyphenyl)methoxy]-3-(4-nitrophenyl)chromen-4-one

C23H17NO6 — CID 2196952

IUPAC7-[(2-methoxyphenyl)methoxy]-3-(4-nitrophenyl)chromen-4-one
SMILESCOc1ccccc1COc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1
InChIInChI=1S/C23H17NO6/c1-28-21-5-3-2-4-16(21)13-29-18-10-11-19-22(12-18)30-14-20(23(19)25)15-6-8-17(9-7-15)24(26)27/h2-12,14H,13H2,1H3
InChIKeyZJSFAKLCGAQVQV-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.96
Rot. Bonds6

About 7-[(2-methoxyphenyl)methoxy]-3-(4-nitrophenyl)chromen-4-one

7-[(2-methoxyphenyl)methoxy]-3-(4-nitrophenyl)chromen-4-one (PubChem CID 2196952) has the molecular formula C23H17NO6 and a molecular weight of 403.39 g/mol. Its IUPAC name is 7-[(2-methoxyphenyl)methoxy]-3-(4-nitrophenyl)chromen-4-one.

Molecular Properties

Compound Name7-[(2-methoxyphenyl)methoxy]-3-(4-nitrophenyl)chromen-4-one
PubChem CID2196952
Molecular FormulaC23H17NO6
Molecular Weight403.39 g/mol
Exact Mass403.11
IUPAC Name7-[(2-methoxyphenyl)methoxy]-3-(4-nitrophenyl)chromen-4-one
SMILESCOc1ccccc1COc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1
InChIInChI=1S/C23H17NO6/c1-28-21-5-3-2-4-16(21)13-29-18-10-11-19-22(12-18)30-14-20(23(19)25)15-6-8-17(9-7-15)24(26)27/h2-12,14H,13H2,1H3
InChIKeyZJSFAKLCGAQVQV-UHFFFAOYSA-N
XLogP4.96
TPSA91.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 7-[(2-methoxyphenyl)methoxy]-3-(4-nitrophenyl)chromen-4-one?
The IUPAC name of 7-[(2-methoxyphenyl)methoxy]-3-(4-nitrophenyl)chromen-4-one (CID 2196952) is 7-[(2-methoxyphenyl)methoxy]-3-(4-nitrophenyl)chromen-4-one.
What is the SMILES notation for 7-[(2-methoxyphenyl)methoxy]-3-(4-nitrophenyl)chromen-4-one?
The canonical SMILES for 7-[(2-methoxyphenyl)methoxy]-3-(4-nitrophenyl)chromen-4-one is COc1ccccc1COc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1.
What is the InChIKey of 7-[(2-methoxyphenyl)methoxy]-3-(4-nitrophenyl)chromen-4-one?
The InChIKey is ZJSFAKLCGAQVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO6/c1-28-21-5-3-2-4-16(21)13-29-18-10-11-19-22(12-18)30-14-20(23(19)25)15-6-8-17(9-7-15)24(26)27/h2-12,14H,13H2,1H3.
What are the key properties of 7-[(2-methoxyphenyl)methoxy]-3-(4-nitrophenyl)chromen-4-one?
7-[(2-methoxyphenyl)methoxy]-3-(4-nitrophenyl)chromen-4-one has a molecular weight of 403.39 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methoxyphenyl)methoxy]-3-(4-nitrophenyl)chromen-4-one is sourced from PubChem (CID 2196952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).