methyl 5-amino-2-(3-fluorophenoxy)benzoate

C14H12FNO3 — CID 61307733

IUPACmethyl 5-amino-2-(3-fluorophenoxy)benzoate
SMILESCOC(=O)c1cc(N)ccc1Oc1cccc(F)c1
InChIInChI=1S/C14H12FNO3/c1-18-14(17)12-8-10(16)5-6-13(12)19-11-4-2-3-9(15)7-11/h2-8H,16H2,1H3
InChIKeyRTRTYCYQNOVNLH-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.99
Rot. Bonds3

About methyl 5-amino-2-(3-fluorophenoxy)benzoate

methyl 5-amino-2-(3-fluorophenoxy)benzoate (PubChem CID 61307733) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is methyl 5-amino-2-(3-fluorophenoxy)benzoate.

Molecular Properties

Compound Namemethyl 5-amino-2-(3-fluorophenoxy)benzoate
PubChem CID61307733
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Namemethyl 5-amino-2-(3-fluorophenoxy)benzoate
SMILESCOC(=O)c1cc(N)ccc1Oc1cccc(F)c1
InChIInChI=1S/C14H12FNO3/c1-18-14(17)12-8-10(16)5-6-13(12)19-11-4-2-3-9(15)7-11/h2-8H,16H2,1H3
InChIKeyRTRTYCYQNOVNLH-UHFFFAOYSA-N
XLogP2.99
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-2-(3,5-difluorophenoxy)benzoate
CID 62783761
methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate
CID 22731359
methyl 5-amino-2-phenoxybenzoate
CID 23019285
methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate
CID 63986850
methyl 5-amino-2-(3-chloro-2-fluorophenoxy)benzoate
CID 116689744
ethyl 5-amino-2-(3-methylphenoxy)benzoate
CID 61305399
methyl 4-amino-2-(3-chlorophenoxy)benzoate
CID 71517872
methyl 5-amino-2-(2-bromophenoxy)benzoate
CID 61305622
methyl 5-amino-2-iodooxybenzoate
CID 170212136
5-amino-2-(3-methylphenoxy)benzoic acid
CID 54887826
methyl 2-(4-fluorophenoxy)-5-methylbenzoate
CID 143796271
methyl 5-amino-2-(4-fluoro-2-methylanilino)benzoate
CID 61306561

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(3-fluorophenoxy)benzoate?
The IUPAC name of methyl 5-amino-2-(3-fluorophenoxy)benzoate (CID 61307733) is methyl 5-amino-2-(3-fluorophenoxy)benzoate.
What is the SMILES notation for methyl 5-amino-2-(3-fluorophenoxy)benzoate?
The canonical SMILES for methyl 5-amino-2-(3-fluorophenoxy)benzoate is COC(=O)c1cc(N)ccc1Oc1cccc(F)c1.
What is the InChIKey of methyl 5-amino-2-(3-fluorophenoxy)benzoate?
The InChIKey is RTRTYCYQNOVNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-18-14(17)12-8-10(16)5-6-13(12)19-11-4-2-3-9(15)7-11/h2-8H,16H2,1H3.
What are the key properties of methyl 5-amino-2-(3-fluorophenoxy)benzoate?
methyl 5-amino-2-(3-fluorophenoxy)benzoate has a molecular weight of 261.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(3-fluorophenoxy)benzoate is sourced from PubChem (CID 61307733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).