(fluoren-9-ylideneamino) 4-methoxybenzoate

C21H15NO3 — CID 2244745

IUPAC(fluoren-9-ylideneamino) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)ON=C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C21H15NO3/c1-24-15-12-10-14(11-13-15)21(23)25-22-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13H,1H3
InChIKeyWBBJIGCWYJDODQ-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.28
Rot. Bonds3

About (fluoren-9-ylideneamino) 4-methoxybenzoate

(fluoren-9-ylideneamino) 4-methoxybenzoate (PubChem CID 2244745) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (fluoren-9-ylideneamino) 4-methoxybenzoate.

Molecular Properties

Compound Name(fluoren-9-ylideneamino) 4-methoxybenzoate
PubChem CID2244745
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name(fluoren-9-ylideneamino) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)ON=C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C21H15NO3/c1-24-15-12-10-14(11-13-15)21(23)25-22-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13H,1H3
InChIKeyWBBJIGCWYJDODQ-UHFFFAOYSA-N
XLogP4.28
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (fluoren-9-ylideneamino) 4-methoxybenzoate?
The IUPAC name of (fluoren-9-ylideneamino) 4-methoxybenzoate (CID 2244745) is (fluoren-9-ylideneamino) 4-methoxybenzoate.
What is the SMILES notation for (fluoren-9-ylideneamino) 4-methoxybenzoate?
The canonical SMILES for (fluoren-9-ylideneamino) 4-methoxybenzoate is COc1ccc(C(=O)ON=C2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of (fluoren-9-ylideneamino) 4-methoxybenzoate?
The InChIKey is WBBJIGCWYJDODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c1-24-15-12-10-14(11-13-15)21(23)25-22-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13H,1H3.
What are the key properties of (fluoren-9-ylideneamino) 4-methoxybenzoate?
(fluoren-9-ylideneamino) 4-methoxybenzoate has a molecular weight of 329.36 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (fluoren-9-ylideneamino) 4-methoxybenzoate is sourced from PubChem (CID 2244745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).