2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid

C11H13ClO4 — CID 112512422

IUPAC2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid
SMILESCOCCOc1ccc(C(Cl)C(=O)O)cc1
InChIInChI=1S/C11H13ClO4/c1-15-6-7-16-9-4-2-8(3-5-9)10(12)11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)
InChIKeyCUKZPKVLPJTKGQ-UHFFFAOYSA-N
MW244.67 g/mol
LogP2.08
Rot. Bonds6

About 2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid

2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid (PubChem CID 112512422) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is 2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid
PubChem CID112512422
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Name2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid
SMILESCOCCOc1ccc(C(Cl)C(=O)O)cc1
InChIInChI=1S/C11H13ClO4/c1-15-6-7-16-9-4-2-8(3-5-9)10(12)11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)
InChIKeyCUKZPKVLPJTKGQ-UHFFFAOYSA-N
XLogP2.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(4-propoxyphenyl)acetic acid
CID 82288302
2-[4-(2-methoxyethoxy)phenyl]propanoic acid
CID 112512140
2-amino-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 77128718
2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid
CID 102149815
methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate
CID 117353011
1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine
CID 101255138
2-[4-(methoxymethoxy)phenyl]propanoic acid
CID 117046311
2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide
CID 82110533
methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol
CID 134401499
2-[4-[2-[4-(1,2-dicarboxyethyl)phenoxy]ethoxy]phenyl]butanedioic acid
CID 5159637
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methanedithiol
CID 59102227

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid?
The IUPAC name of 2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid (CID 112512422) is 2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid?
The canonical SMILES for 2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid is COCCOc1ccc(C(Cl)C(=O)O)cc1.
What is the InChIKey of 2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid?
The InChIKey is CUKZPKVLPJTKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4/c1-15-6-7-16-9-4-2-8(3-5-9)10(12)11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14).
What are the key properties of 2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid?
2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid has a molecular weight of 244.67 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid is sourced from PubChem (CID 112512422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).