2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid

C10H9ClO5 — CID 19575264

IUPAC2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid
SMILESCOc1cc(C=O)c(Cl)cc1OCC(=O)O
InChIInChI=1S/C10H9ClO5/c1-15-8-2-6(4-12)7(11)3-9(8)16-5-10(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyLNHVLHKQMJQEHS-UHFFFAOYSA-N
MW244.63 g/mol
LogP1.62
Rot. Bonds5

About 2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid

2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid (PubChem CID 19575264) has the molecular formula C10H9ClO5 and a molecular weight of 244.63 g/mol. Its IUPAC name is 2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid
PubChem CID19575264
Molecular FormulaC10H9ClO5
Molecular Weight244.63 g/mol
Exact Mass244.01
IUPAC Name2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid
SMILESCOc1cc(C=O)c(Cl)cc1OCC(=O)O
InChIInChI=1S/C10H9ClO5/c1-15-8-2-6(4-12)7(11)3-9(8)16-5-10(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyLNHVLHKQMJQEHS-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

2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid
CID 97179048
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 2986839
2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid
CID 101351133
2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid
CID 18543387
2-[(4-bromo-5-formyl-2-methoxyphenoxy)methyl]prop-2-enoic acid
CID 166429800
2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide
CID 168533326
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
2-[5-chloro-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-ethoxyphenoxy]acetic acid
CID 168599265
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide
CID 7568725
2-[5-bromo-4-[[1-(2-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 1223132
2-[5-bromo-4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 5111841

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid?
The IUPAC name of 2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid (CID 19575264) is 2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid.
What is the SMILES notation for 2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid?
The canonical SMILES for 2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid is COc1cc(C=O)c(Cl)cc1OCC(=O)O.
What is the InChIKey of 2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid?
The InChIKey is LNHVLHKQMJQEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO5/c1-15-8-2-6(4-12)7(11)3-9(8)16-5-10(13)14/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid?
2-(5-chloro-4-formyl-2-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-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid is sourced from PubChem (CID 19575264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).