2-(2,5-dichlorophenoxy)-2-phenylacetic acid

C14H10Cl2O3 — CID 22683206

IUPAC2-(2,5-dichlorophenoxy)-2-phenylacetic acid
SMILESO=C(O)C(Oc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C14H10Cl2O3/c15-10-6-7-11(16)12(8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)
InChIKeyKPQSCXHTLWZXOP-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.20
Rot. Bonds4

About 2-(2,5-dichlorophenoxy)-2-phenylacetic acid

2-(2,5-dichlorophenoxy)-2-phenylacetic acid (PubChem CID 22683206) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-2-phenylacetic acid
PubChem CID22683206
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name2-(2,5-dichlorophenoxy)-2-phenylacetic acid
SMILESO=C(O)C(Oc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C14H10Cl2O3/c15-10-6-7-11(16)12(8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)
InChIKeyKPQSCXHTLWZXOP-UHFFFAOYSA-N
XLogP4.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,5-dichlorophenoxy)-2-phenylacetic acid
CID 42177498
(2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid
CID 42233563
2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid
CID 22683110
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
(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-(2,5-dichlorophenoxy)propanoyl chloride
CID 23469841
(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride
CID 51663788
(2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride
CID 68946272
(2S)-2-(2,5-dichlorophenoxy)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 68945478
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
[(Z)-(6-aminocyclohexa-2,4-dien-1-ylidene)amino]-[2-[carboxy(phenyl)methoxy]-5-chlorophenyl]azanide
CID 142810971
2-[2-(1,3-benzoxazol-2-yl)-4-chlorophenoxy]-2-phenylacetic acid;ethane
CID 142810900

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-2-phenylacetic acid?
The IUPAC name of 2-(2,5-dichlorophenoxy)-2-phenylacetic acid (CID 22683206) is 2-(2,5-dichlorophenoxy)-2-phenylacetic acid.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-2-phenylacetic acid?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-2-phenylacetic acid is O=C(O)C(Oc1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-2-phenylacetic acid?
The InChIKey is KPQSCXHTLWZXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c15-10-6-7-11(16)12(8-10)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-(2,5-dichlorophenoxy)-2-phenylacetic acid?
2-(2,5-dichlorophenoxy)-2-phenylacetic acid has a molecular weight of 297.14 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-2-phenylacetic acid is sourced from PubChem (CID 22683206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).