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

C10H9ClO5 — CID 957945

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

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

2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid (PubChem CID 957945) has the molecular formula C10H9ClO5 and a molecular weight of 244.63 g/mol. Its IUPAC name is 2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
PubChem CID957945
Molecular FormulaC10H9ClO5
Molecular Weight244.63 g/mol
Exact Mass244.01
IUPAC Name2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
SMILESCOc1cc(C=O)cc(Cl)c1OCC(=O)O
InChIInChI=1S/C10H9ClO5/c1-15-8-3-6(4-12)2-7(11)10(8)16-5-9(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyXJVLKGFEFMCVLZ-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'}

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Related Compounds

3-chloro-4-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxybenzaldehyde
CID 106438560
3-(2-chloro-4-formyl-6-methoxyphenoxy)-2,2-dimethylpropanoic acid
CID 79623698
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 43589731
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid
CID 19617941
3-chloro-4-(2-hydroxypropoxy)-5-methoxybenzaldehyde
CID 60887072
4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde
CID 22999110
3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide
CID 62326853
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 28913450
2-[2-chloro-4-[(Z)-(1,3-dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]acetic acid
CID 126037061
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-cyanoethyl)acetamide
CID 28897847
2-[2-chloro-6-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetic acid
CID 126270328
3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
CID 60922279

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid?
The IUPAC name of 2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid (CID 957945) is 2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid.
What is the SMILES notation for 2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid?
The canonical SMILES for 2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid is COc1cc(C=O)cc(Cl)c1OCC(=O)O.
What is the InChIKey of 2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid?
The InChIKey is XJVLKGFEFMCVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO5/c1-15-8-3-6(4-12)2-7(11)10(8)16-5-9(13)14/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid?
2-(2-chloro-4-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-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid is sourced from PubChem (CID 957945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).