2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid

C14H9Cl2FO3 — CID 134633775

IUPAC2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(-c2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C14H9Cl2FO3/c15-8-2-4-9(11(16)6-8)10-3-1-7(5-12(10)17)13(18)14(19)20/h1-6,13,18H,(H,19,20)
InChIKeyREXHIUGBHBBMNN-UHFFFAOYSA-N
MW315.13 g/mol
LogP3.92
Rot. Bonds3

About 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid

2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid (PubChem CID 134633775) has the molecular formula C14H9Cl2FO3 and a molecular weight of 315.13 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid
PubChem CID134633775
Molecular FormulaC14H9Cl2FO3
Molecular Weight315.13 g/mol
Exact Mass313.99
IUPAC Name2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(-c2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C14H9Cl2FO3/c15-8-2-4-9(11(16)6-8)10-3-1-7(5-12(10)17)13(18)14(19)20/h1-6,13,18H,(H,19,20)
InChIKeyREXHIUGBHBBMNN-UHFFFAOYSA-N
XLogP3.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 134633828
4-(2,4-dichlorophenyl)-3-fluorobenzoic acid
CID 53211306
(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
2-[4-(2,5-dichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 82040010
2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid
CID 21406779
2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117313687
2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118835656
(2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid
CID 125129364
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
3-(4-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823555
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
2-(3,5-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 117349950

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid (CID 134633775) is 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(-c2ccc(Cl)cc2Cl)c(F)c1.
What is the InChIKey of 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid?
The InChIKey is REXHIUGBHBBMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO3/c15-8-2-4-9(11(16)6-8)10-3-1-7(5-12(10)17)13(18)14(19)20/h1-6,13,18H,(H,19,20).
What are the key properties of 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid?
2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid has a molecular weight of 315.13 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 134633775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).