2-(4-phenoxyphenoxy)propanedioic acid

C15H12O6 — CID 18516803

IUPAC2-(4-phenoxyphenoxy)propanedioic acid
SMILESO=C(O)C(Oc1ccc(Oc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C15H12O6/c16-14(17)13(15(18)19)21-12-8-6-11(7-9-12)20-10-4-2-1-3-5-10/h1-9,13H,(H,16,17)(H,18,19)
InChIKeyZPNCIRQGIISPNO-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.40
Rot. Bonds6

About 2-(4-phenoxyphenoxy)propanedioic acid

2-(4-phenoxyphenoxy)propanedioic acid (PubChem CID 18516803) has the molecular formula C15H12O6 and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-(4-phenoxyphenoxy)propanedioic acid.

Molecular Properties

Compound Name2-(4-phenoxyphenoxy)propanedioic acid
PubChem CID18516803
Molecular FormulaC15H12O6
Molecular Weight288.25 g/mol
Exact Mass288.06
IUPAC Name2-(4-phenoxyphenoxy)propanedioic acid
SMILESO=C(O)C(Oc1ccc(Oc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C15H12O6/c16-14(17)13(15(18)19)21-12-8-6-11(7-9-12)20-10-4-2-1-3-5-10/h1-9,13H,(H,16,17)(H,18,19)
InChIKeyZPNCIRQGIISPNO-UHFFFAOYSA-N
XLogP2.40
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenoxyphenyl)propanoic acid
CID 527817
4-phenoxybenzoic acid;hydrochloride
CID 70385625
(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
CID 129384207
methyl (4-phenoxyphenyl) carbonate
CID 19704468
2-[4-(3-phenylprop-2-enoyl)phenoxy]propanedioic acid
CID 70588665
ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate
CID 79361865
[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
CID 10589281
oxophosphanium;phenoxybenzene
CID 161329594
2-[4-[(2S)-2-carboxypropyl]phenoxy]propanedioic acid
CID 71228186
4-phenoxybenzoyl bromide
CID 116924551
4-(4-phenoxyphenoxy)benzoyl fluoride
CID 19017949
2-phenoxypropanoic acid;hydrofluoride
CID 161153787

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenoxy)propanedioic acid?
The IUPAC name of 2-(4-phenoxyphenoxy)propanedioic acid (CID 18516803) is 2-(4-phenoxyphenoxy)propanedioic acid.
What is the SMILES notation for 2-(4-phenoxyphenoxy)propanedioic acid?
The canonical SMILES for 2-(4-phenoxyphenoxy)propanedioic acid is O=C(O)C(Oc1ccc(Oc2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-(4-phenoxyphenoxy)propanedioic acid?
The InChIKey is ZPNCIRQGIISPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O6/c16-14(17)13(15(18)19)21-12-8-6-11(7-9-12)20-10-4-2-1-3-5-10/h1-9,13H,(H,16,17)(H,18,19).
What are the key properties of 2-(4-phenoxyphenoxy)propanedioic acid?
2-(4-phenoxyphenoxy)propanedioic acid has a molecular weight of 288.25 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenoxy)propanedioic acid is sourced from PubChem (CID 18516803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).