2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid

C15H11ClO4 — CID 143555960

IUPAC2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid
SMILESO=Cc1cc(Cl)ccc1OCc1ccccc1C(=O)O
InChIInChI=1S/C15H11ClO4/c16-12-5-6-14(11(7-12)8-17)20-9-10-3-1-2-4-13(10)15(18)19/h1-8H,9H2,(H,18,19)
InChIKeyFRXCSEOCWQFLHJ-UHFFFAOYSA-N
MW290.70 g/mol
LogP3.43
Rot. Bonds5

About 2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid

2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid (PubChem CID 143555960) has the molecular formula C15H11ClO4 and a molecular weight of 290.70 g/mol. Its IUPAC name is 2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid
PubChem CID143555960
Molecular FormulaC15H11ClO4
Molecular Weight290.70 g/mol
Exact Mass290.03
IUPAC Name2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid
SMILESO=Cc1cc(Cl)ccc1OCc1ccccc1C(=O)O
InChIInChI=1S/C15H11ClO4/c16-12-5-6-14(11(7-12)8-17)20-9-10-3-1-2-4-13(10)15(18)19/h1-8H,9H2,(H,18,19)
InChIKeyFRXCSEOCWQFLHJ-UHFFFAOYSA-N
XLogP3.43
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 53.43
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

5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde
CID 112652333
2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid
CID 114322427
5-chloro-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699555
5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde
CID 43244328
2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697199
5-chloro-2-(2-hydroxy-2-phenylethoxy)benzaldehyde
CID 60884802
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde
CID 43324795
5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
CID 63530846
5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde
CID 22684407
5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 882526
5-chloro-2-(2-phenylsulfanylethoxy)benzaldehyde
CID 79222426
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid?
The IUPAC name of 2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid (CID 143555960) is 2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid.
What is the SMILES notation for 2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid?
The canonical SMILES for 2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid is O=Cc1cc(Cl)ccc1OCc1ccccc1C(=O)O.
What is the InChIKey of 2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid?
The InChIKey is FRXCSEOCWQFLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO4/c16-12-5-6-14(11(7-12)8-17)20-9-10-3-1-2-4-13(10)15(18)19/h1-8H,9H2,(H,18,19).
What are the key properties of 2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid?
2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid has a molecular weight of 290.70 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid is sourced from PubChem (CID 143555960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).