2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid

C10H9ClO5 — CID 806314

IUPAC2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid
SMILESCOc1cc(Cl)cc(C=O)c1OCC(=O)O
InChIInChI=1S/C10H9ClO5/c1-15-8-3-7(11)2-6(4-12)10(8)16-5-9(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyBUWMPGOSLRJIOT-UHFFFAOYSA-N
MW244.63 g/mol
LogP1.62
Rot. Bonds5

About 2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid

2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid (PubChem CID 806314) has the molecular formula C10H9ClO5 and a molecular weight of 244.63 g/mol. Its IUPAC name is 2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid
PubChem CID806314
Molecular FormulaC10H9ClO5
Molecular Weight244.63 g/mol
Exact Mass244.01
IUPAC Name2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid
SMILESCOc1cc(Cl)cc(C=O)c1OCC(=O)O
InChIInChI=1S/C10H9ClO5/c1-15-8-3-7(11)2-6(4-12)10(8)16-5-9(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyBUWMPGOSLRJIOT-UHFFFAOYSA-N
XLogP1.62
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid?
The IUPAC name of 2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid (CID 806314) is 2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid.
What is the SMILES notation for 2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid?
The canonical SMILES for 2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid is COc1cc(Cl)cc(C=O)c1OCC(=O)O.
What is the InChIKey of 2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid?
The InChIKey is BUWMPGOSLRJIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO5/c1-15-8-3-7(11)2-6(4-12)10(8)16-5-9(13)14/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid?
2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid has a molecular weight of 244.63 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid is sourced from PubChem (CID 806314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).