2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid

C14H10BrClO3 — CID 22683110

IUPAC2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid
SMILESO=C(O)C(Oc1ccc(Cl)cc1Br)c1ccccc1
InChIInChI=1S/C14H10BrClO3/c15-11-8-10(16)6-7-12(11)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)
InChIKeyPYQBGHZZGUTMSS-UHFFFAOYSA-N
MW341.59 g/mol
LogP4.31
Rot. Bonds4

About 2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid

2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid (PubChem CID 22683110) has the molecular formula C14H10BrClO3 and a molecular weight of 341.59 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid
PubChem CID22683110
Molecular FormulaC14H10BrClO3
Molecular Weight341.59 g/mol
Exact Mass339.95
IUPAC Name2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid
SMILESO=C(O)C(Oc1ccc(Cl)cc1Br)c1ccccc1
InChIInChI=1S/C14H10BrClO3/c15-11-8-10(16)6-7-12(11)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)
InChIKeyPYQBGHZZGUTMSS-UHFFFAOYSA-N
XLogP4.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid
CID 42233563
(2R)-2-(2,5-dichlorophenoxy)-2-phenylacetic acid
CID 42177498
2-(2,5-dichlorophenoxy)-2-phenylacetic acid
CID 22683206
(2R)-2-(2-bromo-4-chlorophenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 7706069
(2R)-2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]-2-phenylacetic acid;(2S)-2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]-2-phenylacetic acid
CID 159533564
2-(2-bromo-4-chlorophenoxy)propanoyl chloride
CID 88743448
3-(2-bromo-4-chlorophenoxy)butan-2-one
CID 60626588
2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]-2-(4-bromophenyl)acetic acid
CID 23540581
1-(4-benzhydrylpiperazin-1-yl)-2-(2-bromo-4-chlorophenoxy)propan-1-one
CID 4981432
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoic acid
CID 43170814
(2R)-2-(3-bromophenoxy)-2-phenylacetic acid
CID 42181032
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid (CID 22683110) is 2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid is O=C(O)C(Oc1ccc(Cl)cc1Br)c1ccccc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid?
The InChIKey is PYQBGHZZGUTMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO3/c15-11-8-10(16)6-7-12(11)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid?
2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid has a molecular weight of 341.59 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid is sourced from PubChem (CID 22683110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).