(2R)-2-(4-chlorophenyl)-2-methoxyacetic acid

C9H9ClO3 — CID 91196819

IUPAC(2R)-2-(4-chlorophenyl)-2-methoxyacetic acid
SMILESCO[C@@H](C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO3/c1-13-8(9(11)12)6-2-4-7(10)5-3-6/h2-5,8H,1H3,(H,11,12)/t8-/m1/s1
InChIKeyOFASTQPKCTUSPZ-MRVPVSSYSA-N
MW200.62 g/mol
LogP2.11
Rot. Bonds3

About (2R)-2-(4-chlorophenyl)-2-methoxyacetic acid

(2R)-2-(4-chlorophenyl)-2-methoxyacetic acid (PubChem CID 91196819) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2-methoxyacetic acid.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2-methoxyacetic acid
PubChem CID91196819
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name(2R)-2-(4-chlorophenyl)-2-methoxyacetic acid
SMILESCO[C@@H](C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO3/c1-13-8(9(11)12)6-2-4-7(10)5-3-6/h2-5,8H,1H3,(H,11,12)/t8-/m1/s1
InChIKeyOFASTQPKCTUSPZ-MRVPVSSYSA-N
XLogP2.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2-methoxyacetic acid?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2-methoxyacetic acid (CID 91196819) is (2R)-2-(4-chlorophenyl)-2-methoxyacetic acid.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2-methoxyacetic acid?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2-methoxyacetic acid is CO[C@@H](C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2-methoxyacetic acid?
The InChIKey is OFASTQPKCTUSPZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-13-8(9(11)12)6-2-4-7(10)5-3-6/h2-5,8H,1H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2-methoxyacetic acid?
(2R)-2-(4-chlorophenyl)-2-methoxyacetic acid has a molecular weight of 200.62 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-2-methoxyacetic acid is sourced from PubChem (CID 91196819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).