2-phenoxycarbonylbenzoic acid;phosphoric acid

C14H13O8P — CID 70523982

IUPAC2-phenoxycarbonylbenzoic acid;phosphoric acid
SMILESO=C(O)c1ccccc1C(=O)Oc1ccccc1.O=P(O)(O)O
InChIInChI=1S/C14H10O4.H3O4P/c15-13(16)11-8-4-5-9-12(11)14(17)18-10-6-2-1-3-7-10;1-5(2,3)4/h1-9H,(H,15,16);(H3,1,2,3,4)
InChIKeyDZYDLXLAKBJKJA-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.68
Rot. Bonds3

About 2-phenoxycarbonylbenzoic acid;phosphoric acid

2-phenoxycarbonylbenzoic acid;phosphoric acid (PubChem CID 70523982) has the molecular formula C14H13O8P and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-phenoxycarbonylbenzoic acid;phosphoric acid.

Molecular Properties

Compound Name2-phenoxycarbonylbenzoic acid;phosphoric acid
PubChem CID70523982
Molecular FormulaC14H13O8P
Molecular Weight340.22 g/mol
Exact Mass340.03
IUPAC Name2-phenoxycarbonylbenzoic acid;phosphoric acid
SMILESO=C(O)c1ccccc1C(=O)Oc1ccccc1.O=P(O)(O)O
InChIInChI=1S/C14H10O4.H3O4P/c15-13(16)11-8-4-5-9-12(11)14(17)18-10-6-2-1-3-7-10;1-5(2,3)4/h1-9H,(H,15,16);(H3,1,2,3,4)
InChIKeyDZYDLXLAKBJKJA-UHFFFAOYSA-N
XLogP1.68
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

phosphoric acid;phthalic acid
CID 175071379
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CID 174922398
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CID 158752634
phenyl 2-acetylbenzoate
CID 102060857
5-(2-carboxybenzoyl)oxybenzene-1,3-dicarboxylic acid
CID 70551972
2-phenoxy-3-phenoxycarbonylbenzoic acid
CID 141175877
2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury
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benzene-1,4-diol;tris(2-hydroxybenzoic acid);phenyl 2-hydroxybenzoate
CID 161221289
benzene-1,3-diol;diphenyl benzene-1,2-dicarboxylate
CID 174808310
phenyl 2-iodobenzoate
CID 11416063
formaldehyde;phenyl 2-hydroxybenzoate
CID 70193884
2-O-(3,5-dimethylphenyl) 1-O-phenyl benzene-1,2-dicarboxylate
CID 6425517

Frequently Asked Questions

What is the IUPAC name of 2-phenoxycarbonylbenzoic acid;phosphoric acid?
The IUPAC name of 2-phenoxycarbonylbenzoic acid;phosphoric acid (CID 70523982) is 2-phenoxycarbonylbenzoic acid;phosphoric acid.
What is the SMILES notation for 2-phenoxycarbonylbenzoic acid;phosphoric acid?
The canonical SMILES for 2-phenoxycarbonylbenzoic acid;phosphoric acid is O=C(O)c1ccccc1C(=O)Oc1ccccc1.O=P(O)(O)O.
What is the InChIKey of 2-phenoxycarbonylbenzoic acid;phosphoric acid?
The InChIKey is DZYDLXLAKBJKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4.H3O4P/c15-13(16)11-8-4-5-9-12(11)14(17)18-10-6-2-1-3-7-10;1-5(2,3)4/h1-9H,(H,15,16);(H3,1,2,3,4).
What are the key properties of 2-phenoxycarbonylbenzoic acid;phosphoric acid?
2-phenoxycarbonylbenzoic acid;phosphoric acid has a molecular weight of 340.22 g/mol, XLogP of 1.68, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxycarbonylbenzoic acid;phosphoric acid is sourced from PubChem (CID 70523982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).