(2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid

C14H10Cl2O3 — CID 42233563

IUPAC(2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid
SMILESO=C(O)[C@@H](Oc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C14H10Cl2O3/c15-10-6-7-12(11(16)8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)/t13-/m0/s1
InChIKeySBJRFXFUGJZZGF-ZDUSSCGKSA-N
MW297.14 g/mol
LogP4.20
Rot. Bonds4

About (2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid

(2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid (PubChem CID 42233563) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid
PubChem CID42233563
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid
SMILESO=C(O)[C@@H](Oc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C14H10Cl2O3/c15-10-6-7-12(11(16)8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)/t13-/m0/s1
InChIKeySBJRFXFUGJZZGF-ZDUSSCGKSA-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
2-(2,5-dichlorophenoxy)-2-phenylacetic acid
CID 22683206
2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid
CID 22683110
2-(2,4-dichlorophenoxy)-2-phenyl-1-pyridin-3-ylethanone
CID 86157650
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
(2R)-2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]-2-phenylacetic acid;(2S)-2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]-2-phenylacetic acid
CID 159533564
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 8837824
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
2-[2-(1,3-benzoxazol-2-yl)-4-chlorophenoxy]-2-phenylacetic acid;ethane
CID 142810900
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872991
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 27230023

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid (CID 42233563) is (2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid is O=C(O)[C@@H](Oc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid?
The InChIKey is SBJRFXFUGJZZGF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c15-10-6-7-12(11(16)8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid?
(2S)-2-(2,4-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 (2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid is sourced from PubChem (CID 42233563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).