4-(4-methoxy-3-nitrophenoxy)benzoic acid

C14H11NO6 — CID 103201557

IUPAC4-(4-methoxy-3-nitrophenoxy)benzoic acid
SMILESCOc1ccc(Oc2ccc(C(=O)O)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11NO6/c1-20-13-7-6-11(8-12(13)15(18)19)21-10-4-2-9(3-5-10)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyKKUBEAGZGPHSEU-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.09
Rot. Bonds5

About 4-(4-methoxy-3-nitrophenoxy)benzoic acid

4-(4-methoxy-3-nitrophenoxy)benzoic acid (PubChem CID 103201557) has the molecular formula C14H11NO6 and a molecular weight of 289.24 g/mol. Its IUPAC name is 4-(4-methoxy-3-nitrophenoxy)benzoic acid.

Molecular Properties

Compound Name4-(4-methoxy-3-nitrophenoxy)benzoic acid
PubChem CID103201557
Molecular FormulaC14H11NO6
Molecular Weight289.24 g/mol
Exact Mass289.06
IUPAC Name4-(4-methoxy-3-nitrophenoxy)benzoic acid
SMILESCOc1ccc(Oc2ccc(C(=O)O)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11NO6/c1-20-13-7-6-11(8-12(13)15(18)19)21-10-4-2-9(3-5-10)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyKKUBEAGZGPHSEU-UHFFFAOYSA-N
XLogP3.09
TPSA98.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.09
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

1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone
CID 103201761
4-(4-methoxy-3-nitrophenoxy)thiophene-2-carboxylic acid
CID 103201799
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201806
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
5-(4-carboxyphenoxy)-2-methoxybenzoic acid
CID 162997010
3-methoxy-4-(4-nitrophenoxy)benzoic acid
CID 61395589
4-[1-cyano-2-(4-methoxy-3-nitrophenyl)ethenyl]benzoic acid
CID 2980202
4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid
CID 2405242
(4-methoxy-3-nitrophenyl) prop-2-enoate
CID 139661081
4-(5-chloro-2-nitrophenoxy)benzoic acid
CID 62306362
(4-methoxy-3-nitrobenzoyl)carbamic acid;hydrochloride
CID 70634064
3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine
CID 103201647

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-nitrophenoxy)benzoic acid?
The IUPAC name of 4-(4-methoxy-3-nitrophenoxy)benzoic acid (CID 103201557) is 4-(4-methoxy-3-nitrophenoxy)benzoic acid.
What is the SMILES notation for 4-(4-methoxy-3-nitrophenoxy)benzoic acid?
The canonical SMILES for 4-(4-methoxy-3-nitrophenoxy)benzoic acid is COc1ccc(Oc2ccc(C(=O)O)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(4-methoxy-3-nitrophenoxy)benzoic acid?
The InChIKey is KKUBEAGZGPHSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO6/c1-20-13-7-6-11(8-12(13)15(18)19)21-10-4-2-9(3-5-10)14(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 4-(4-methoxy-3-nitrophenoxy)benzoic acid?
4-(4-methoxy-3-nitrophenoxy)benzoic acid has a molecular weight of 289.24 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-nitrophenoxy)benzoic acid is sourced from PubChem (CID 103201557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).