2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid

C10H10Cl2O3 — CID 82296775

IUPAC2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid
SMILESCCOc1ccc(C(Cl)C(=O)O)cc1Cl
InChIInChI=1S/C10H10Cl2O3/c1-2-15-8-4-3-6(5-7(8)11)9(12)10(13)14/h3-5,9H,2H2,1H3,(H,13,14)
InChIKeySPGXWLREMWTVHZ-UHFFFAOYSA-N
MW249.09 g/mol
LogP3.10
Rot. Bonds4

About 2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid

2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid (PubChem CID 82296775) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is 2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid
PubChem CID82296775
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Name2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid
SMILESCCOc1ccc(C(Cl)C(=O)O)cc1Cl
InChIInChI=1S/C10H10Cl2O3/c1-2-15-8-4-3-6(5-7(8)11)9(12)10(13)14/h3-5,9H,2H2,1H3,(H,13,14)
InChIKeySPGXWLREMWTVHZ-UHFFFAOYSA-N
XLogP3.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 53.10
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-chloro-2-(4-ethoxy-3-methylphenyl)acetic acid
CID 82288310
1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one
CID 116859678
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
1-(3-chloro-4-ethoxyphenyl)propan-1-ol
CID 82629836
(3-chloro-4-ethoxyphenyl)-methoxymethanamine
CID 116947279
2-(3-chloro-4-ethoxyphenyl)butan-1-ol
CID 116964115
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
2-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938610
1-chloro-1-(4-ethoxy-3-sulfanylphenyl)propan-2-one
CID 166641869
5-(3-chloro-4-ethoxyphenyl)-5-(methylamino)pentan-2-one
CID 116956177
2-[3-(1-chloro-2-oxopropyl)-4-ethoxyphenyl]-2-hydroxyacetic acid
CID 134656857
1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine
CID 116915052

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid?
The IUPAC name of 2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid (CID 82296775) is 2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid.
What is the SMILES notation for 2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid?
The canonical SMILES for 2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid is CCOc1ccc(C(Cl)C(=O)O)cc1Cl.
What is the InChIKey of 2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid?
The InChIKey is SPGXWLREMWTVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3/c1-2-15-8-4-3-6(5-7(8)11)9(12)10(13)14/h3-5,9H,2H2,1H3,(H,13,14).
What are the key properties of 2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid?
2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid has a molecular weight of 249.09 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid is sourced from PubChem (CID 82296775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).