4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid

C14H11Cl2NO3 — CID 106954818

IUPAC4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
SMILESNc1ccc(C(=O)O)c(OCc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H11Cl2NO3/c15-9-1-4-12(16)8(5-9)7-20-13-6-10(17)2-3-11(13)14(18)19/h1-6H,7,17H2,(H,18,19)
InChIKeyQZSCRSMTJTTXGZ-UHFFFAOYSA-N
MW312.15 g/mol
LogP3.85
Rot. Bonds4

About 4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid

4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid (PubChem CID 106954818) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is 4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
PubChem CID106954818
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Name4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
SMILESNc1ccc(C(=O)O)c(OCc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H11Cl2NO3/c15-9-1-4-12(16)8(5-9)7-20-13-6-10(17)2-3-11(13)14(18)19/h1-6H,7,17H2,(H,18,19)
InChIKeyQZSCRSMTJTTXGZ-UHFFFAOYSA-N
XLogP3.85
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106500719
5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 65317579
4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid
CID 106954690
4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106954932
4-amino-2-[(3-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 106954773
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid
CID 63463866
4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid
CID 102663354
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid
CID 106954770
1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone
CID 103046263
4-amino-2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoic acid
CID 106954926
4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzoic acid
CID 106954817

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid?
The IUPAC name of 4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid (CID 106954818) is 4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid?
The canonical SMILES for 4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid is Nc1ccc(C(=O)O)c(OCc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid?
The InChIKey is QZSCRSMTJTTXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c15-9-1-4-12(16)8(5-9)7-20-13-6-10(17)2-3-11(13)14(18)19/h1-6H,7,17H2,(H,18,19).
What are the key properties of 4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid?
4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid has a molecular weight of 312.15 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 106954818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).