2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid

C14H12ClNO3 — CID 65125909

IUPAC2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid
SMILESNc1ccc(OCc2cccc(Cl)c2)cc1C(=O)O
InChIInChI=1S/C14H12ClNO3/c15-10-3-1-2-9(6-10)8-19-11-4-5-13(16)12(7-11)14(17)18/h1-7H,8,16H2,(H,17,18)
InChIKeyFTMFQSHUDLERCW-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.20
Rot. Bonds4

About 2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid

2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid (PubChem CID 65125909) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid
PubChem CID65125909
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid
SMILESNc1ccc(OCc2cccc(Cl)c2)cc1C(=O)O
InChIInChI=1S/C14H12ClNO3/c15-10-3-1-2-9(6-10)8-19-11-4-5-13(16)12(7-11)14(17)18/h1-7H,8,16H2,(H,17,18)
InChIKeyFTMFQSHUDLERCW-UHFFFAOYSA-N
XLogP3.20
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.20
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

5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044
2-amino-5-[(4-bromophenyl)methoxy]benzoic acid
CID 82824687
(E)-3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42303981
3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 20984640
2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid
CID 71036830
2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid
CID 65124992
methyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate
CID 63552597
2,5-bis[(3-chlorophenyl)methoxy]phenol
CID 139941886
2-chloro-4-[(3-chlorophenoxy)methyl]aniline
CID 117220338
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 2763529

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid?
The IUPAC name of 2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid (CID 65125909) is 2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid?
The canonical SMILES for 2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid is Nc1ccc(OCc2cccc(Cl)c2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid?
The InChIKey is FTMFQSHUDLERCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c15-10-3-1-2-9(6-10)8-19-11-4-5-13(16)12(7-11)14(17)18/h1-7H,8,16H2,(H,17,18).
What are the key properties of 2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid?
2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid has a molecular weight of 277.71 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 65125909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).