2-(hydroxycarbamoyl)-5-phenoxycarbonylbenzoic acid

C15H11NO6 — CID 141047416

IUPAC2-(hydroxycarbamoyl)-5-phenoxycarbonylbenzoic acid
SMILESO=C(Oc1ccccc1)c1ccc(C(=O)NO)c(C(=O)O)c1
InChIInChI=1S/C15H11NO6/c17-13(16-21)11-7-6-9(8-12(11)14(18)19)15(20)22-10-4-2-1-3-5-10/h1-8,21H,(H,16,17)(H,18,19)
InChIKeyYYMRAXAWIOIASX-UHFFFAOYSA-N
MW301.25 g/mol
LogP1.72
Rot. Bonds4

About 2-(hydroxycarbamoyl)-5-phenoxycarbonylbenzoic acid

2-(hydroxycarbamoyl)-5-phenoxycarbonylbenzoic acid (PubChem CID 141047416) has the molecular formula C15H11NO6 and a molecular weight of 301.25 g/mol. Its IUPAC name is 2-(hydroxycarbamoyl)-5-phenoxycarbonylbenzoic acid.

Molecular Properties

Compound Name2-(hydroxycarbamoyl)-5-phenoxycarbonylbenzoic acid
PubChem CID141047416
Molecular FormulaC15H11NO6
Molecular Weight301.25 g/mol
Exact Mass301.06
IUPAC Name2-(hydroxycarbamoyl)-5-phenoxycarbonylbenzoic acid
SMILESO=C(Oc1ccccc1)c1ccc(C(=O)NO)c(C(=O)O)c1
InChIInChI=1S/C15H11NO6/c17-13(16-21)11-7-6-9(8-12(11)14(18)19)15(20)22-10-4-2-1-3-5-10/h1-8,21H,(H,16,17)(H,18,19)
InChIKeyYYMRAXAWIOIASX-UHFFFAOYSA-N
XLogP1.72
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-(3,4-dicarboxybenzoyl)oxyphenyl]phenoxy]carbonylphthalic acid;ethane
CID 163623583
diphenyl 2-benzoylbenzene-1,4-dicarboxylate
CID 71318917
3-bromo-4-phenoxycarbonylbenzoic acid
CID 139624346
diphenyl 2-phenylbenzene-1,4-dicarboxylate
CID 67591432
phenyl 3,4-diaminobenzoate
CID 22184045
ethane;4-methoxycarbonylphthalic acid
CID 143938031
5-O-methyl 1-O,3-O-diphenyl benzene-1,3,5-tricarboxylate
CID 71365622
1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide
CID 167363578
4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 21240166
phenyl 6-hydroxynaphthalene-2-carboxylate
CID 18762076
2-phenoxycarbonylbenzoic acid;phosphoric acid
CID 70523982
phenyl 4-amino-3-hydroxybenzoate
CID 141431742

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxycarbamoyl)-5-phenoxycarbonylbenzoic acid?
The IUPAC name of 2-(hydroxycarbamoyl)-5-phenoxycarbonylbenzoic acid (CID 141047416) is 2-(hydroxycarbamoyl)-5-phenoxycarbonylbenzoic acid.
What is the SMILES notation for 2-(hydroxycarbamoyl)-5-phenoxycarbonylbenzoic acid?
The canonical SMILES for 2-(hydroxycarbamoyl)-5-phenoxycarbonylbenzoic acid is O=C(Oc1ccccc1)c1ccc(C(=O)NO)c(C(=O)O)c1.
What is the InChIKey of 2-(hydroxycarbamoyl)-5-phenoxycarbonylbenzoic acid?
The InChIKey is YYMRAXAWIOIASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO6/c17-13(16-21)11-7-6-9(8-12(11)14(18)19)15(20)22-10-4-2-1-3-5-10/h1-8,21H,(H,16,17)(H,18,19).
What are the key properties of 2-(hydroxycarbamoyl)-5-phenoxycarbonylbenzoic acid?
2-(hydroxycarbamoyl)-5-phenoxycarbonylbenzoic acid has a molecular weight of 301.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxycarbamoyl)-5-phenoxycarbonylbenzoic acid is sourced from PubChem (CID 141047416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).