2-(3-chloro-2,4-difluoro-6-hydroxyphenyl)acetic acid

C8H5ClF2O3 — CID 84788764

IUPAC2-(3-chloro-2,4-difluoro-6-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1c(O)cc(F)c(Cl)c1F
InChIInChI=1S/C8H5ClF2O3/c9-7-4(10)2-5(12)3(8(7)11)1-6(13)14/h2,12H,1H2,(H,13,14)
InChIKeyJTJSJNBMNXSMIR-UHFFFAOYSA-N
MW222.57 g/mol
LogP1.95
Rot. Bonds2

About 2-(3-chloro-2,4-difluoro-6-hydroxyphenyl)acetic acid

2-(3-chloro-2,4-difluoro-6-hydroxyphenyl)acetic acid (PubChem CID 84788764) has the molecular formula C8H5ClF2O3 and a molecular weight of 222.57 g/mol. Its IUPAC name is 2-(3-chloro-2,4-difluoro-6-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-2,4-difluoro-6-hydroxyphenyl)acetic acid
PubChem CID84788764
Molecular FormulaC8H5ClF2O3
Molecular Weight222.57 g/mol
Exact Mass221.99
IUPAC Name2-(3-chloro-2,4-difluoro-6-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1c(O)cc(F)c(Cl)c1F
InChIInChI=1S/C8H5ClF2O3/c9-7-4(10)2-5(12)3(8(7)11)1-6(13)14/h2,12H,1H2,(H,13,14)
InChIKeyJTJSJNBMNXSMIR-UHFFFAOYSA-N
XLogP1.95
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.57
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,4-difluoro-6-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(3-chloro-2,4-difluoro-6-hydroxyphenyl)acetic acid (CID 84788764) is 2-(3-chloro-2,4-difluoro-6-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-chloro-2,4-difluoro-6-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(3-chloro-2,4-difluoro-6-hydroxyphenyl)acetic acid is O=C(O)Cc1c(O)cc(F)c(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2,4-difluoro-6-hydroxyphenyl)acetic acid?
The InChIKey is JTJSJNBMNXSMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2O3/c9-7-4(10)2-5(12)3(8(7)11)1-6(13)14/h2,12H,1H2,(H,13,14).
What are the key properties of 2-(3-chloro-2,4-difluoro-6-hydroxyphenyl)acetic acid?
2-(3-chloro-2,4-difluoro-6-hydroxyphenyl)acetic acid has a molecular weight of 222.57 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,4-difluoro-6-hydroxyphenyl)acetic acid is sourced from PubChem (CID 84788764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).