2-[2-hydroxy-2-(2,3,4,6-tetrachlorophenyl)ethoxy]acetic acid

C10H8Cl4O4 — CID 105349698

IUPAC2-[2-hydroxy-2-(2,3,4,6-tetrachlorophenyl)ethoxy]acetic acid
SMILESO=C(O)COCC(O)c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H8Cl4O4/c11-4-1-5(12)9(13)10(14)8(4)6(15)2-18-3-7(16)17/h1,6,15H,2-3H2,(H,16,17)
InChIKeySWBLVJHDFYKYIL-UHFFFAOYSA-N
MW333.98 g/mol
LogP3.43
Rot. Bonds5

About 2-[2-hydroxy-2-(2,3,4,6-tetrachlorophenyl)ethoxy]acetic acid

2-[2-hydroxy-2-(2,3,4,6-tetrachlorophenyl)ethoxy]acetic acid (PubChem CID 105349698) has the molecular formula C10H8Cl4O4 and a molecular weight of 333.98 g/mol. Its IUPAC name is 2-[2-hydroxy-2-(2,3,4,6-tetrachlorophenyl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxy-2-(2,3,4,6-tetrachlorophenyl)ethoxy]acetic acid
PubChem CID105349698
Molecular FormulaC10H8Cl4O4
Molecular Weight333.98 g/mol
Exact Mass331.92
IUPAC Name2-[2-hydroxy-2-(2,3,4,6-tetrachlorophenyl)ethoxy]acetic acid
SMILESO=C(O)COCC(O)c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H8Cl4O4/c11-4-1-5(12)9(13)10(14)8(4)6(15)2-18-3-7(16)17/h1,6,15H,2-3H2,(H,16,17)
InChIKeySWBLVJHDFYKYIL-UHFFFAOYSA-N
XLogP3.43
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.98
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-3,3-dimethyl-5-(2,3,4,6-tetrachlorophenyl)pentanoic acid
CID 105349697
2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid
CID 81431719
2-[2-(4,5-dibromothiophen-2-yl)-2-hydroxyethoxy]acetic acid
CID 80535278
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethoxy]acetic acid
CID 61328984
(2R)-2-amino-3-(carboxymethoxy)propanoic acid
CID 87968783
copper;1,2-dichlorobenzene;2-ethoxyacetic acid
CID 174669659
2-(aminomethyl)-4-methyl-5-(2,3,4,6-tetrachlorophenyl)hexanoic acid
CID 87760242
2-[2-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetic acid
CID 19848354
2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid
CID 61328207
2-[2-(2,5-dichlorophenyl)-2-oxoethoxy]acetic acid
CID 61329924
2-[(2R)-2-phenylpropoxy]acetic acid
CID 124585460
2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid
CID 61328011

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-2-(2,3,4,6-tetrachlorophenyl)ethoxy]acetic acid?
The IUPAC name of 2-[2-hydroxy-2-(2,3,4,6-tetrachlorophenyl)ethoxy]acetic acid (CID 105349698) is 2-[2-hydroxy-2-(2,3,4,6-tetrachlorophenyl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-hydroxy-2-(2,3,4,6-tetrachlorophenyl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-hydroxy-2-(2,3,4,6-tetrachlorophenyl)ethoxy]acetic acid is O=C(O)COCC(O)c1c(Cl)cc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-[2-hydroxy-2-(2,3,4,6-tetrachlorophenyl)ethoxy]acetic acid?
The InChIKey is SWBLVJHDFYKYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl4O4/c11-4-1-5(12)9(13)10(14)8(4)6(15)2-18-3-7(16)17/h1,6,15H,2-3H2,(H,16,17).
What are the key properties of 2-[2-hydroxy-2-(2,3,4,6-tetrachlorophenyl)ethoxy]acetic acid?
2-[2-hydroxy-2-(2,3,4,6-tetrachlorophenyl)ethoxy]acetic acid has a molecular weight of 333.98 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-2-(2,3,4,6-tetrachlorophenyl)ethoxy]acetic acid is sourced from PubChem (CID 105349698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).