(2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate

C14H12ClNO3 — CID 61277658

IUPAC(2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate
SMILESNc1ccc(C(=O)OCc2ccccc2Cl)cc1O
InChIInChI=1S/C14H12ClNO3/c15-11-4-2-1-3-10(11)8-19-14(18)9-5-6-12(16)13(17)7-9/h1-7,17H,8,16H2
InChIKeyFYRAGOVJHARMBA-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.98
Rot. Bonds3

About (2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate

(2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate (PubChem CID 61277658) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate
PubChem CID61277658
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name(2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate
SMILESNc1ccc(C(=O)OCc2ccccc2Cl)cc1O
InChIInChI=1S/C14H12ClNO3/c15-11-4-2-1-3-10(11)8-19-14(18)9-5-6-12(16)13(17)7-9/h1-7,17H,8,16H2
InChIKeyFYRAGOVJHARMBA-UHFFFAOYSA-N
XLogP2.98
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl)methyl 3-amino-4-fluorobenzoate
CID 61277657
4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide
CID 107074472
ethyl 4-amino-3-hydroxybenzoate
CID 12784565
(2-chlorophenyl)methyl 4-methyl-3-nitrobenzoate
CID 2628635
(2,3-dichlorophenyl)methyl 3,5-diaminobenzoate
CID 107309367
(2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate
CID 66465143
(2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate
CID 2611649
(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279797
(2,4-dichlorophenyl)methyl 3-amino-4-chlorobenzoate
CID 16578139
phenyl 4-amino-3-hydroxybenzoate
CID 141431742
benzyl 3-chloro-4-hydroxybenzoate
CID 54290465
(2,6-difluorophenyl)methyl 4-amino-3-chlorobenzoate
CID 103993256

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate?
The IUPAC name of (2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate (CID 61277658) is (2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate.
What is the SMILES notation for (2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate?
The canonical SMILES for (2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate is Nc1ccc(C(=O)OCc2ccccc2Cl)cc1O.
What is the InChIKey of (2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate?
The InChIKey is FYRAGOVJHARMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c15-11-4-2-1-3-10(11)8-19-14(18)9-5-6-12(16)13(17)7-9/h1-7,17H,8,16H2.
What are the key properties of (2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate?
(2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate has a molecular weight of 277.71 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate is sourced from PubChem (CID 61277658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).