2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid

C15H14ClNO4 — CID 43380062

IUPAC2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid
SMILESCOc1cc(N)c(C(=O)O)cc1OCc1ccccc1Cl
InChIInChI=1S/C15H14ClNO4/c1-20-13-7-12(17)10(15(18)19)6-14(13)21-8-9-4-2-3-5-11(9)16/h2-7H,8,17H2,1H3,(H,18,19)
InChIKeyYMZAMYKSKQIQHI-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.21
Rot. Bonds5

About 2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid

2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid (PubChem CID 43380062) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid
PubChem CID43380062
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid
SMILESCOc1cc(N)c(C(=O)O)cc1OCc1ccccc1Cl
InChIInChI=1S/C15H14ClNO4/c1-20-13-7-12(17)10(15(18)19)6-14(13)21-8-9-4-2-3-5-11(9)16/h2-7H,8,17H2,1H3,(H,18,19)
InChIKeyYMZAMYKSKQIQHI-UHFFFAOYSA-N
XLogP3.21
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid
CID 170873582
(2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2392110
phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2454304
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134
4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid
CID 106954690
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid
CID 4769645
2-chloro-5-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 6145645
2-amino-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110340971
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid
CID 81227840
3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 3725223
4-[[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]methyl]benzoic acid
CID 66534210

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid?
The IUPAC name of 2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid (CID 43380062) is 2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid.
What is the SMILES notation for 2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid?
The canonical SMILES for 2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid is COc1cc(N)c(C(=O)O)cc1OCc1ccccc1Cl.
What is the InChIKey of 2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid?
The InChIKey is YMZAMYKSKQIQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-20-13-7-12(17)10(15(18)19)6-14(13)21-8-9-4-2-3-5-11(9)16/h2-7H,8,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid?
2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid has a molecular weight of 307.73 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid is sourced from PubChem (CID 43380062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).