7-[(2-methoxy-5-nitrophenyl)methoxy]-4-phenylchromen-2-one

C23H17NO6 — CID 1337626

IUPAC7-[(2-methoxy-5-nitrophenyl)methoxy]-4-phenylchromen-2-one
SMILESCOc1ccc([N+](=O)[O-])cc1COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C23H17NO6/c1-28-21-10-7-17(24(26)27)11-16(21)14-29-18-8-9-19-20(15-5-3-2-4-6-15)13-23(25)30-22(19)12-18/h2-13H,14H2,1H3
InChIKeyGNDWQUATAISNGY-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.96
Rot. Bonds6

About 7-[(2-methoxy-5-nitrophenyl)methoxy]-4-phenylchromen-2-one

7-[(2-methoxy-5-nitrophenyl)methoxy]-4-phenylchromen-2-one (PubChem CID 1337626) has the molecular formula C23H17NO6 and a molecular weight of 403.39 g/mol. Its IUPAC name is 7-[(2-methoxy-5-nitrophenyl)methoxy]-4-phenylchromen-2-one.

Molecular Properties

Compound Name7-[(2-methoxy-5-nitrophenyl)methoxy]-4-phenylchromen-2-one
PubChem CID1337626
Molecular FormulaC23H17NO6
Molecular Weight403.39 g/mol
Exact Mass403.11
IUPAC Name7-[(2-methoxy-5-nitrophenyl)methoxy]-4-phenylchromen-2-one
SMILESCOc1ccc([N+](=O)[O-])cc1COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C23H17NO6/c1-28-21-10-7-17(24(26)27)11-16(21)14-29-18-8-9-19-20(15-5-3-2-4-6-15)13-23(25)30-22(19)12-18/h2-13H,14H2,1H3
InChIKeyGNDWQUATAISNGY-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': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl [(4-methyl-6-nitro-2-oxo-2H-chromen-7-yl)oxy]acetate
CID 734975
3,4-Dimethyl-7-[(4-nitrophenyl)methoxy]chromen-2-one
CID 939812
4-Methyl-7-(4-nitro-2-(trifluoromethyl)phenoxy)-2H-chromen-2-one
CID 1323001
7-(2,4-dinitrophenoxy)-4-methyl-2H-chromen-2-one
CID 3121201
7-hydroxy-4-(4-nitrophenyl)-2H-chromen-2-one
CID 5682293
4-Methyl-3-(3-nitrobenzyl)-2-oxo-2h-chromen-7-yl dimethylcarbamate
CID 59139251
2-[4,8-Dimethyl-7-[(3-nitrophenyl)methoxy]-2-oxochromen-3-yl]acetic acid
CID 153356316
7-Hydroxy-4-methyl-6-nitrocoumarin
CID 5385113
7-(2,4-dinitrophenoxy)-2H-chromen-2-one
CID 1908550
3-[2-nitro-4-(trifluoromethyl)phenoxy]-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
CID 2274268
4-Methyl-7-[(3-nitrophenyl)methoxy]chromen-2-one
CID 894515
3-(4-Nitro-benzyloxy)-7,8,9,10-tetrahydro-benzo[c]chromen-6-one
CID 997475

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methoxy-5-nitrophenyl)methoxy]-4-phenylchromen-2-one?
The IUPAC name of 7-[(2-methoxy-5-nitrophenyl)methoxy]-4-phenylchromen-2-one (CID 1337626) is 7-[(2-methoxy-5-nitrophenyl)methoxy]-4-phenylchromen-2-one.
What is the SMILES notation for 7-[(2-methoxy-5-nitrophenyl)methoxy]-4-phenylchromen-2-one?
The canonical SMILES for 7-[(2-methoxy-5-nitrophenyl)methoxy]-4-phenylchromen-2-one is COc1ccc([N+](=O)[O-])cc1COc1ccc2c(-c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of 7-[(2-methoxy-5-nitrophenyl)methoxy]-4-phenylchromen-2-one?
The InChIKey is GNDWQUATAISNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO6/c1-28-21-10-7-17(24(26)27)11-16(21)14-29-18-8-9-19-20(15-5-3-2-4-6-15)13-23(25)30-22(19)12-18/h2-13H,14H2,1H3.
What are the key properties of 7-[(2-methoxy-5-nitrophenyl)methoxy]-4-phenylchromen-2-one?
7-[(2-methoxy-5-nitrophenyl)methoxy]-4-phenylchromen-2-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-methoxy-5-nitrophenyl)methoxy]-4-phenylchromen-2-one is sourced from PubChem (CID 1337626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).