2-(4-methoxyphenyl)-6-nitro-4H-chromene

C16H13NO4 — CID 102280820

IUPAC2-(4-methoxyphenyl)-6-nitro-4H-chromene
SMILESCOc1ccc(C2=CCc3cc([N+](=O)[O-])ccc3O2)cc1
InChIInChI=1S/C16H13NO4/c1-20-14-6-2-11(3-7-14)15-8-4-12-10-13(17(18)19)5-9-16(12)21-15/h2-3,5-10H,4H2,1H3
InChIKeyKCNIPEJNZPEHIB-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.58
Rot. Bonds3

About 2-(4-methoxyphenyl)-6-nitro-4H-chromene

2-(4-methoxyphenyl)-6-nitro-4H-chromene (PubChem CID 102280820) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-nitro-4H-chromene.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-nitro-4H-chromene
PubChem CID102280820
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2-(4-methoxyphenyl)-6-nitro-4H-chromene
SMILESCOc1ccc(C2=CCc3cc([N+](=O)[O-])ccc3O2)cc1
InChIInChI=1S/C16H13NO4/c1-20-14-6-2-11(3-7-14)15-8-4-12-10-13(17(18)19)5-9-16(12)21-15/h2-3,5-10H,4H2,1H3
InChIKeyKCNIPEJNZPEHIB-UHFFFAOYSA-N
XLogP3.58
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-methoxy-6-nitro-1H-indene
CID 159861665
2-(4-methoxyphenyl)-6-nitro-1,3-benzoxazole
CID 887499
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
5-methoxy-2-(4-nitrophenyl)-1-benzofuran
CID 11680584
1-chloro-2-[(4-methoxyphenyl)methyl]-4-nitrobenzene;methane
CID 159735063
3-(4-methoxyphenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
CID 883697
2-(4-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113892
2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine
CID 102257808
3,6-dinitro-9H-xanthene
CID 23462424
1-[12-[4-(4-methoxyphenyl)phenoxy]dodecoxy]-2,4-dinitrobenzene
CID 57220439
[2-(4-methoxyphenyl)-4-nitrophenyl] hydrogen carbonate
CID 22133672
N-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide
CID 102103939

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-nitro-4H-chromene?
The IUPAC name of 2-(4-methoxyphenyl)-6-nitro-4H-chromene (CID 102280820) is 2-(4-methoxyphenyl)-6-nitro-4H-chromene.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-nitro-4H-chromene?
The canonical SMILES for 2-(4-methoxyphenyl)-6-nitro-4H-chromene is COc1ccc(C2=CCc3cc([N+](=O)[O-])ccc3O2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-nitro-4H-chromene?
The InChIKey is KCNIPEJNZPEHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-20-14-6-2-11(3-7-14)15-8-4-12-10-13(17(18)19)5-9-16(12)21-15/h2-3,5-10H,4H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-6-nitro-4H-chromene?
2-(4-methoxyphenyl)-6-nitro-4H-chromene has a molecular weight of 283.28 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-nitro-4H-chromene is sourced from PubChem (CID 102280820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).