4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid

C14H10FNO5 — CID 18914208

IUPAC4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10FNO5/c15-11-4-1-9(2-5-11)8-21-13-6-3-10(14(17)18)7-12(13)16(19)20/h1-7H,8H2,(H,17,18)
InChIKeyBFZUAYTXRVZWAC-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.01
Rot. Bonds5

About 4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid

4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid (PubChem CID 18914208) has the molecular formula C14H10FNO5 and a molecular weight of 291.23 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid
PubChem CID18914208
Molecular FormulaC14H10FNO5
Molecular Weight291.23 g/mol
Exact Mass291.05
IUPAC Name4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10FNO5/c15-11-4-1-9(2-5-11)8-21-13-6-3-10(14(17)18)7-12(13)16(19)20/h1-7H,8H2,(H,17,18)
InChIKeyBFZUAYTXRVZWAC-UHFFFAOYSA-N
XLogP3.01
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 53.01
H-Bond Donors ≤ 51
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

1-[4-[(4-fluorophenyl)methoxy]-3-nitrophenyl]ethanone
CID 2737280
bis(3-nitro-4-phenylmethoxyphenyl)methanone
CID 21234669
3-amino-4-[(4-fluorophenyl)methoxy]benzoic acid
CID 43379780
3-[(4-methylphenyl)methoxy]-4-nitrobenzoic acid
CID 45446282
4-fluoro-1-[(4-iodophenyl)methoxy]-2-nitrobenzene
CID 65491329
4-[(1-methylpyrazol-4-yl)methoxy]-3-nitrobenzoic acid
CID 43244184
4-(2-aminoethoxy)-3-nitrobenzoic acid
CID 69332360
1-[4-[(4-chlorophenyl)methoxy]-3-nitrophenyl]-2-methylpropan-1-one
CID 110311922
4-[(4-fluoro-2-nitrophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620593
4-(2-chloro-4-fluorophenoxy)-3-nitrobenzoic acid
CID 45444223
4-(3,3-dimethylbutoxy)-3-nitrobenzoic acid
CID 61481124
[4-[(3,5-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 105404109

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid (CID 18914208) is 4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid is O=C(O)c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid?
The InChIKey is BFZUAYTXRVZWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO5/c15-11-4-1-9(2-5-11)8-21-13-6-3-10(14(17)18)7-12(13)16(19)20/h1-7H,8H2,(H,17,18).
What are the key properties of 4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid?
4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid has a molecular weight of 291.23 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid is sourced from PubChem (CID 18914208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).