2,2-diphenoxyacetic acid

C14H12O4 — CID 12893

IUPAC2,2-diphenoxyacetic acid
SMILESO=C(O)C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H12O4/c15-13(16)14(17-11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10,14H,(H,15,16)
InChIKeyBWRPEDIXOHZKFD-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.56
Rot. Bonds5

About 2,2-diphenoxyacetic acid

2,2-diphenoxyacetic acid (PubChem CID 12893) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2,2-diphenoxyacetic acid.

Molecular Properties

Compound Name2,2-diphenoxyacetic acid
PubChem CID12893
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2,2-diphenoxyacetic acid
SMILESO=C(O)C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H12O4/c15-13(16)14(17-11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10,14H,(H,15,16)
InChIKeyBWRPEDIXOHZKFD-UHFFFAOYSA-N
XLogP2.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phenoxyacetic Acid
CID 19188
2-(4-Methoxyphenoxy)propanoic acid
CID 151199
Allyl phenoxyacetate
CID 24117
(4-Hydroxyphenoxy)acetic acid
CID 15881
2-(2-Methoxyphenoxy)acetic acid
CID 15882
DL-2-Phenoxypropionic acid
CID 13658
2-(2-Methoxyphenoxy)propanoic acid
CID 202020
Sodium phenoxyacetate
CID 23687423
Acetic acid, (4-phenoxyphenoxy)-
CID 2369459
(o-Hydroxyphenoxy)acetic acid
CID 22783
Acetic acid, 2-phenoxy-, ethyl ester
CID 17365
2,2-Bis(4-chlorophenoxy)acetic acid
CID 34706

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenoxyacetic acid?
The IUPAC name of 2,2-diphenoxyacetic acid (CID 12893) is 2,2-diphenoxyacetic acid.
What is the SMILES notation for 2,2-diphenoxyacetic acid?
The canonical SMILES for 2,2-diphenoxyacetic acid is O=C(O)C(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2,2-diphenoxyacetic acid?
The InChIKey is BWRPEDIXOHZKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c15-13(16)14(17-11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10,14H,(H,15,16).
What are the key properties of 2,2-diphenoxyacetic acid?
2,2-diphenoxyacetic acid has a molecular weight of 244.25 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenoxyacetic acid is sourced from PubChem (CID 12893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).