5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid

C14H11Cl2NO3 — CID 43379989

IUPAC5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
SMILESNc1ccc(OCc2c(Cl)cccc2Cl)c(C(=O)O)c1
InChIInChI=1S/C14H11Cl2NO3/c15-11-2-1-3-12(16)10(11)7-20-13-5-4-8(17)6-9(13)14(18)19/h1-6H,7,17H2,(H,18,19)
InChIKeyGXWJFXLFOGMDHJ-UHFFFAOYSA-N
MW312.15 g/mol
LogP3.85
Rot. Bonds4

About 5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid

5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid (PubChem CID 43379989) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is 5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
PubChem CID43379989
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Name5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
SMILESNc1ccc(OCc2c(Cl)cccc2Cl)c(C(=O)O)c1
InChIInChI=1S/C14H11Cl2NO3/c15-11-2-1-3-12(16)10(11)7-20-13-5-4-8(17)6-9(13)14(18)19/h1-6H,7,17H2,(H,18,19)
InChIKeyGXWJFXLFOGMDHJ-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

1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone
CID 116541044
2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid
CID 115298074
methyl 5-amino-2-[(2-chloro-6-fluorophenyl)methoxy]benzoate
CID 106955704
5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid
CID 43379987
5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 43379967
3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 115955910
4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106954932
1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 78906393
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
5-amino-2-(2,4-dichlorophenoxy)benzoic acid
CID 54888100
2-[(2-amino-6-chlorophenyl)methoxy]benzamide
CID 63745089
(2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450771

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid?
The IUPAC name of 5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid (CID 43379989) is 5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid?
The canonical SMILES for 5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid is Nc1ccc(OCc2c(Cl)cccc2Cl)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid?
The InChIKey is GXWJFXLFOGMDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c15-11-2-1-3-12(16)10(11)7-20-13-5-4-8(17)6-9(13)14(18)19/h1-6H,7,17H2,(H,18,19).
What are the key properties of 5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid?
5-amino-2-[(2,6-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 5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 43379989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).