2-(2-chloro-6-formylphenoxy)acetic acid

C9H7ClO4 — CID 91570731

IUPAC2-(2-chloro-6-formylphenoxy)acetic acid
SMILESO=Cc1cccc(Cl)c1OCC(=O)O
InChIInChI=1S/C9H7ClO4/c10-7-3-1-2-6(4-11)9(7)14-5-8(12)13/h1-4H,5H2,(H,12,13)
InChIKeyUMBSUFDZYWWSAB-UHFFFAOYSA-N
MW214.60 g/mol
LogP1.62
Rot. Bonds4

About 2-(2-chloro-6-formylphenoxy)acetic acid

2-(2-chloro-6-formylphenoxy)acetic acid (PubChem CID 91570731) has the molecular formula C9H7ClO4 and a molecular weight of 214.60 g/mol. Its IUPAC name is 2-(2-chloro-6-formylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-6-formylphenoxy)acetic acid
PubChem CID91570731
Molecular FormulaC9H7ClO4
Molecular Weight214.60 g/mol
Exact Mass214.00
IUPAC Name2-(2-chloro-6-formylphenoxy)acetic acid
SMILESO=Cc1cccc(Cl)c1OCC(=O)O
InChIInChI=1S/C9H7ClO4/c10-7-3-1-2-6(4-11)9(7)14-5-8(12)13/h1-4H,5H2,(H,12,13)
InChIKeyUMBSUFDZYWWSAB-UHFFFAOYSA-N
XLogP1.62
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.60
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-6-formylphenoxy)acetamide
CID 112611424
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide
CID 115955676
3-chloro-2-(3-methylbut-2-enoxy)benzaldehyde
CID 112611214
2-(2-chloro-6-formylphenoxy)-N-(2-fluorophenyl)acetamide
CID 115955695
3-chloro-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 112611328
2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide
CID 112611471
4-(2-chloro-6-formylphenoxy)-N-methylbutanamide
CID 112611484
3-(2-chloro-6-formylphenoxy)-N-methylpropanamide
CID 112611514
2-(2,3-diformylphenoxy)acetic acid
CID 163373860
3-chloro-2-(2-ethylbutoxy)benzaldehyde
CID 112611417
3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde
CID 112611355

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-formylphenoxy)acetic acid?
The IUPAC name of 2-(2-chloro-6-formylphenoxy)acetic acid (CID 91570731) is 2-(2-chloro-6-formylphenoxy)acetic acid.
What is the SMILES notation for 2-(2-chloro-6-formylphenoxy)acetic acid?
The canonical SMILES for 2-(2-chloro-6-formylphenoxy)acetic acid is O=Cc1cccc(Cl)c1OCC(=O)O.
What is the InChIKey of 2-(2-chloro-6-formylphenoxy)acetic acid?
The InChIKey is UMBSUFDZYWWSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO4/c10-7-3-1-2-6(4-11)9(7)14-5-8(12)13/h1-4H,5H2,(H,12,13).
What are the key properties of 2-(2-chloro-6-formylphenoxy)acetic acid?
2-(2-chloro-6-formylphenoxy)acetic acid has a molecular weight of 214.60 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-formylphenoxy)acetic acid is sourced from PubChem (CID 91570731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).