2-(3,5-dichlorophenyl)-2-hydroxyacetic acid

C8H6Cl2O3 — CID 21191143

IUPAC2-(3,5-dichlorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H6Cl2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,11H,(H,12,13)
InChIKeyMIEFWJKVKNYRRC-UHFFFAOYSA-N
MW221.04 g/mol
LogP2.11
Rot. Bonds2

About 2-(3,5-dichlorophenyl)-2-hydroxyacetic acid

2-(3,5-dichlorophenyl)-2-hydroxyacetic acid (PubChem CID 21191143) has the molecular formula C8H6Cl2O3 and a molecular weight of 221.04 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-2-hydroxyacetic acid
PubChem CID21191143
Molecular FormulaC8H6Cl2O3
Molecular Weight221.04 g/mol
Exact Mass219.97
IUPAC Name2-(3,5-dichlorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H6Cl2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,11H,(H,12,13)
InChIKeyMIEFWJKVKNYRRC-UHFFFAOYSA-N
XLogP2.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dichlorobenzoic acid
CID 5811
4-Chloromandelic acid
CID 10299
2-Chloromandelic acid
CID 97720
2,4-Dichloromandelic acid
CID 24198
(-)-2-Chloromandelic acid
CID 2733641
(R)-2-(3-Chlorophenyl)-2-hydroxyacetic acid
CID 2733127
2-(3,5-Dichlorophenyl)acetic acid
CID 6452487
3-Chloromandelic acid
CID 85981
(R)-Mandelate
CID 5460269
BAJ 2740-dihydroxy
CID 139597739
2,4,5-Trichloromandelic acid
CID 151911
(S)-2-(3-Chlorophenyl)-2-hydroxyacetic acid
CID 5324675

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3,5-dichlorophenyl)-2-hydroxyacetic acid (CID 21191143) is 2-(3,5-dichlorophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3,5-dichlorophenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-2-hydroxyacetic acid?
The InChIKey is MIEFWJKVKNYRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,11H,(H,12,13).
What are the key properties of 2-(3,5-dichlorophenyl)-2-hydroxyacetic acid?
2-(3,5-dichlorophenyl)-2-hydroxyacetic acid has a molecular weight of 221.04 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 21191143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).