2-[2-(3,5-dichlorophenyl)-6-fluorophenyl]-2-hydroxyacetic acid

C14H9Cl2FO3 — CID 134633829

IUPAC2-[2-(3,5-dichlorophenyl)-6-fluorophenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c(F)cccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl2FO3/c15-8-4-7(5-9(16)6-8)10-2-1-3-11(17)12(10)13(18)14(19)20/h1-6,13,18H,(H,19,20)
InChIKeyXKPOQNCQHYJRCY-UHFFFAOYSA-N
MW315.13 g/mol
LogP3.92
Rot. Bonds3

About 2-[2-(3,5-dichlorophenyl)-6-fluorophenyl]-2-hydroxyacetic acid

2-[2-(3,5-dichlorophenyl)-6-fluorophenyl]-2-hydroxyacetic acid (PubChem CID 134633829) has the molecular formula C14H9Cl2FO3 and a molecular weight of 315.13 g/mol. Its IUPAC name is 2-[2-(3,5-dichlorophenyl)-6-fluorophenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-(3,5-dichlorophenyl)-6-fluorophenyl]-2-hydroxyacetic acid
PubChem CID134633829
Molecular FormulaC14H9Cl2FO3
Molecular Weight315.13 g/mol
Exact Mass313.99
IUPAC Name2-[2-(3,5-dichlorophenyl)-6-fluorophenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c(F)cccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl2FO3/c15-8-4-7(5-9(16)6-8)10-2-1-3-11(17)12(10)13(18)14(19)20/h1-6,13,18H,(H,19,20)
InChIKeyXKPOQNCQHYJRCY-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
(2S)-2-(2-chloro-3,6-difluorophenyl)-2-hydroxyacetic acid
CID 131460711
(2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid
CID 125129364
(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 57032402
3-chloro-5-(2-fluorophenyl)benzoic acid
CID 46314465
2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 46313376
3-(2-chloro-6-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823544
2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117314963
ethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate
CID 134623708
2-[2-chloro-6-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134633815
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
2-(3,5-dichlorophenyl)-6-fluoro-N,N-dimethylaniline
CID 134631655

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dichlorophenyl)-6-fluorophenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-(3,5-dichlorophenyl)-6-fluorophenyl]-2-hydroxyacetic acid (CID 134633829) is 2-[2-(3,5-dichlorophenyl)-6-fluorophenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-(3,5-dichlorophenyl)-6-fluorophenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-(3,5-dichlorophenyl)-6-fluorophenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1c(F)cccc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[2-(3,5-dichlorophenyl)-6-fluorophenyl]-2-hydroxyacetic acid?
The InChIKey is XKPOQNCQHYJRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO3/c15-8-4-7(5-9(16)6-8)10-2-1-3-11(17)12(10)13(18)14(19)20/h1-6,13,18H,(H,19,20).
What are the key properties of 2-[2-(3,5-dichlorophenyl)-6-fluorophenyl]-2-hydroxyacetic acid?
2-[2-(3,5-dichlorophenyl)-6-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-[2-(3,5-dichlorophenyl)-6-fluorophenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 134633829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).