2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid

C10H10Cl2O3 — CID 83223627

IUPAC2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid
SMILESO=C(O)C(OCCCl)c1ccc(Cl)cc1
InChIInChI=1S/C10H10Cl2O3/c11-5-6-15-9(10(13)14)7-1-3-8(12)4-2-7/h1-4,9H,5-6H2,(H,13,14)
InChIKeyFAOZPZKMRLVOKO-UHFFFAOYSA-N
MW249.09 g/mol
LogP2.72
Rot. Bonds5

About 2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid

2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid (PubChem CID 83223627) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid.

Molecular Properties

Compound Name2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid
PubChem CID83223627
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Name2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid
SMILESO=C(O)C(OCCCl)c1ccc(Cl)cc1
InChIInChI=1S/C10H10Cl2O3/c11-5-6-15-9(10(13)14)7-1-3-8(12)4-2-7/h1-4,9H,5-6H2,(H,13,14)
InChIKeyFAOZPZKMRLVOKO-UHFFFAOYSA-N
XLogP2.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethoxy)-2-(6-chloro-3-pyridinyl)acetic acid
CID 86615151
2-(2-chloroethoxy)-2-(3,4,5-trifluorophenyl)acetic acid
CID 67067400
2-(2-chloroethoxy)-2-(2,5-difluorophenyl)acetic acid
CID 83223794
(2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid
CID 86332935
2-(2-chloroethoxy)-1,2-diphenylethanone
CID 12628444
2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224161
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
2-(2-hydroxyethoxy)-2-(4-methylphenyl)acetic acid
CID 83224145
1-(4-chlorophenyl)-1-propoxypentan-2-one
CID 83225276
2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid
CID 70132721
(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224723

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid?
The IUPAC name of 2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid (CID 83223627) is 2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid.
What is the SMILES notation for 2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid?
The canonical SMILES for 2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid is O=C(O)C(OCCCl)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid?
The InChIKey is FAOZPZKMRLVOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3/c11-5-6-15-9(10(13)14)7-1-3-8(12)4-2-7/h1-4,9H,5-6H2,(H,13,14).
What are the key properties of 2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid?
2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid has a molecular weight of 249.09 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid is sourced from PubChem (CID 83223627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).