CID 70488363

C14H12NaO4 — CID 70488363

IUPAC—
SMILESO=C(c1ccc(Oc2ccccc2)cc1)C(O)O.[Na]
InChIInChI=1S/C14H12O4.Na/c15-13(14(16)17)10-6-8-12(9-7-10)18-11-4-2-1-3-5-11;/h1-9,14,16-17H;
InChIKeyAQULPXUNBNUFDK-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.59
Rot. Bonds4

About CID 70488363

CID 70488363 (PubChem CID 70488363) has the molecular formula C14H12NaO4 and a molecular weight of 267.24 g/mol.

Molecular Properties

Compound NameCID 70488363
PubChem CID70488363
Molecular FormulaC14H12NaO4
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name—
SMILESO=C(c1ccc(Oc2ccccc2)cc1)C(O)O.[Na]
InChIInChI=1S/C14H12O4.Na/c15-13(14(16)17)10-6-8-12(9-7-10)18-11-4-2-1-3-5-11;/h1-9,14,16-17H;
InChIKeyAQULPXUNBNUFDK-UHFFFAOYSA-N
XLogP1.59
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-phenoxybenzoic acid;hydrochloride
CID 70385625
4-(4-phenoxyphenoxy)benzoyl fluoride
CID 19017949
4-phenoxybenzoyl bromide
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ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
1-[3-[2-oxo-2-(4-phenoxyphenyl)acetyl]phenyl]-2-(4-phenoxyphenyl)ethane-1,2-dione
CID 20508401
3-oxo-3-(4-phenoxyphenyl)-2,2-bis(sulfanyl)propanoic acid
CID 88840278
2-(4-phenoxyphenoxy)propanedioic acid
CID 18516803
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974

Frequently Asked Questions

What is the IUPAC name of CID 70488363?
The IUPAC name of CID 70488363 (CID 70488363) is not available.
What is the SMILES notation for CID 70488363?
The canonical SMILES for CID 70488363 is O=C(c1ccc(Oc2ccccc2)cc1)C(O)O.[Na].
What is the InChIKey of CID 70488363?
The InChIKey is AQULPXUNBNUFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4.Na/c15-13(14(16)17)10-6-8-12(9-7-10)18-11-4-2-1-3-5-11;/h1-9,14,16-17H;.
What are the key properties of CID 70488363?
CID 70488363 has a molecular weight of 267.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70488363 is sourced from PubChem (CID 70488363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).