methyl 3-anilinooxybenzoate

C14H13NO3 — CID 54183467

IUPACmethyl 3-anilinooxybenzoate
SMILESCOC(=O)c1cccc(ONc2ccccc2)c1
InChIInChI=1S/C14H13NO3/c1-17-14(16)11-6-5-9-13(10-11)18-15-12-7-3-2-4-8-12/h2-10,15H,1H3
InChIKeyPDMJIZTUBXZMJW-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.88
Rot. Bonds4

About methyl 3-anilinooxybenzoate

methyl 3-anilinooxybenzoate (PubChem CID 54183467) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 3-anilinooxybenzoate.

Molecular Properties

Compound Namemethyl 3-anilinooxybenzoate
PubChem CID54183467
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 3-anilinooxybenzoate
SMILESCOC(=O)c1cccc(ONc2ccccc2)c1
InChIInChI=1S/C14H13NO3/c1-17-14(16)11-6-5-9-13(10-11)18-15-12-7-3-2-4-8-12/h2-10,15H,1H3
InChIKeyPDMJIZTUBXZMJW-UHFFFAOYSA-N
XLogP2.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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methyl 3-(2-bromopropan-2-yloxy)benzoate
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methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
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methyl 3-acetyloxybenzoate
CID 577969
CID 70265363
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methyl 3-(phenylmethoxymethoxy)benzoate
CID 175253615
methyl 3-(2-hydroxy-2-phenylethoxy)benzoate
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methyl 3-carbamoyloxybenzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-anilinooxybenzoate?
The IUPAC name of methyl 3-anilinooxybenzoate (CID 54183467) is methyl 3-anilinooxybenzoate.
What is the SMILES notation for methyl 3-anilinooxybenzoate?
The canonical SMILES for methyl 3-anilinooxybenzoate is COC(=O)c1cccc(ONc2ccccc2)c1.
What is the InChIKey of methyl 3-anilinooxybenzoate?
The InChIKey is PDMJIZTUBXZMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-14(16)11-6-5-9-13(10-11)18-15-12-7-3-2-4-8-12/h2-10,15H,1H3.
What are the key properties of methyl 3-anilinooxybenzoate?
methyl 3-anilinooxybenzoate has a molecular weight of 243.26 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-anilinooxybenzoate is sourced from PubChem (CID 54183467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).