(2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate

C14H12FNO3 — CID 63933212

IUPAC(2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate
SMILESNc1ccc(C(=O)OCc2ccccc2F)c(O)c1
InChIInChI=1S/C14H12FNO3/c15-12-4-2-1-3-9(12)8-19-14(18)11-6-5-10(16)7-13(11)17/h1-7,17H,8,16H2
InChIKeyOSJGPYUJMLZGNI-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.47
Rot. Bonds3

About (2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate

(2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate (PubChem CID 63933212) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate
PubChem CID63933212
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name(2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate
SMILESNc1ccc(C(=O)OCc2ccccc2F)c(O)c1
InChIInChI=1S/C14H12FNO3/c15-12-4-2-1-3-9(12)8-19-14(18)11-6-5-10(16)7-13(11)17/h1-7,17H,8,16H2
InChIKeyOSJGPYUJMLZGNI-UHFFFAOYSA-N
XLogP2.47
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.47
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-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate
CID 103720382
(2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate
CID 61238817
(2-fluorophenyl)methyl 5-amino-2-bromo-4-fluorobenzoate
CID 62815970
4-[(2-fluorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91682681
(3-chloro-2-fluorophenyl)methyl 2,4-diaminobenzoate
CID 102858189
[2-(2-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7501091
(2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate
CID 63933039
(2-fluoro-4-methoxyphenyl)methyl 2,4-diaminobenzoate
CID 102878337
(2-methylphenyl)methyl 4-amino-2-chlorobenzoate
CID 61238994
(2-chloro-3-fluorophenyl)methyl 2-amino-4,5-difluorobenzoate
CID 115984109
(2-fluorophenyl)methyl 1H-indole-3-carboxylate
CID 7492710
(2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate
CID 2611649

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate?
The IUPAC name of (2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate (CID 63933212) is (2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate?
The canonical SMILES for (2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate is Nc1ccc(C(=O)OCc2ccccc2F)c(O)c1.
What is the InChIKey of (2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate?
The InChIKey is OSJGPYUJMLZGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-12-4-2-1-3-9(12)8-19-14(18)11-6-5-10(16)7-13(11)17/h1-7,17H,8,16H2.
What are the key properties of (2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate?
(2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate has a molecular weight of 261.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate is sourced from PubChem (CID 63933212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).