2-hydroxy-5-(4-nitrophenoxy)benzoic acid

C13H9NO6 — CID 21492504

IUPAC2-hydroxy-5-(4-nitrophenoxy)benzoic acid
SMILESO=C(O)c1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1O
InChIInChI=1S/C13H9NO6/c15-12-6-5-10(7-11(12)13(16)17)20-9-3-1-8(2-4-9)14(18)19/h1-7,15H,(H,16,17)
InChIKeyTXQQDHGSGMFBDZ-UHFFFAOYSA-N
MW275.22 g/mol
LogP2.79
Rot. Bonds4

About 2-hydroxy-5-(4-nitrophenoxy)benzoic acid

2-hydroxy-5-(4-nitrophenoxy)benzoic acid (PubChem CID 21492504) has the molecular formula C13H9NO6 and a molecular weight of 275.22 g/mol. Its IUPAC name is 2-hydroxy-5-(4-nitrophenoxy)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(4-nitrophenoxy)benzoic acid
PubChem CID21492504
Molecular FormulaC13H9NO6
Molecular Weight275.22 g/mol
Exact Mass275.04
IUPAC Name2-hydroxy-5-(4-nitrophenoxy)benzoic acid
SMILESO=C(O)c1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1O
InChIInChI=1S/C13H9NO6/c15-12-6-5-10(7-11(12)13(16)17)20-9-3-1-8(2-4-9)14(18)19/h1-7,15H,(H,16,17)
InChIKeyTXQQDHGSGMFBDZ-UHFFFAOYSA-N
XLogP2.79
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 52.79
H-Bond Donors ≤ 52
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'}

Analyze 2-hydroxy-5-(4-nitrophenoxy)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-5-(4-nitrophenyl)benzoic acid
CID 69207175
2-chloro-4-(4-nitrophenoxy)benzoic acid
CID 62944604
2-hydroxy-5-(4-nitrobenzoyl)benzoic acid
CID 151278706
2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 154115475
2-(4-nitrophenoxy)benzoic acid
CID 139059188
sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
CID 173234784
5-fluoro-2-(4-nitrophenoxy)benzoic acid
CID 61032286
2-benzamido-4-(4-nitrophenoxy)benzoic acid
CID 67343170
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371
[4-(4-nitrophenoxy)phenyl]methyl 5-chloro-2-hydroxybenzoate
CID 17369865
3-carboxy-4-hydroxybenzenesulfonate;(4-nitrophenyl)azanium;hydrate
CID 139086133
(4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone
CID 139719116

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-nitrophenoxy)benzoic acid?
The IUPAC name of 2-hydroxy-5-(4-nitrophenoxy)benzoic acid (CID 21492504) is 2-hydroxy-5-(4-nitrophenoxy)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(4-nitrophenoxy)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(4-nitrophenoxy)benzoic acid is O=C(O)c1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(4-nitrophenoxy)benzoic acid?
The InChIKey is TXQQDHGSGMFBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO6/c15-12-6-5-10(7-11(12)13(16)17)20-9-3-1-8(2-4-9)14(18)19/h1-7,15H,(H,16,17).
What are the key properties of 2-hydroxy-5-(4-nitrophenoxy)benzoic acid?
2-hydroxy-5-(4-nitrophenoxy)benzoic acid has a molecular weight of 275.22 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-nitrophenoxy)benzoic acid is sourced from PubChem (CID 21492504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).