(fluoren-9-ylideneamino) 2-methoxybenzoate

C21H15NO3 — CID 2244742

IUPAC(fluoren-9-ylideneamino) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)ON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H15NO3/c1-24-19-13-7-6-12-18(19)21(23)25-22-20-16-10-4-2-8-14(16)15-9-3-5-11-17(15)20/h2-13H,1H3
InChIKeyGEPKWJCNDLTAMZ-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.28
Rot. Bonds3

About (fluoren-9-ylideneamino) 2-methoxybenzoate

(fluoren-9-ylideneamino) 2-methoxybenzoate (PubChem CID 2244742) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (fluoren-9-ylideneamino) 2-methoxybenzoate.

Molecular Properties

Compound Name(fluoren-9-ylideneamino) 2-methoxybenzoate
PubChem CID2244742
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name(fluoren-9-ylideneamino) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)ON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H15NO3/c1-24-19-13-7-6-12-18(19)21(23)25-22-20-16-10-4-2-8-14(16)15-9-3-5-11-17(15)20/h2-13H,1H3
InChIKeyGEPKWJCNDLTAMZ-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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Related Compounds

(1E)-5-methoxyindan-1-one O-(2-methylbenzoyl)oxime
CID 9556941
(1Z)-6-methoxy-3,4-dihydronaphthalen-1(2H)-one O-(2-methoxybenzoyl)oxime
CID 6537361
5-methoxy-1-indanone O-(2-methoxybenzoyl)oxime
CID 5350139
5-methoxy-1-indanone O-(3-methylbenzoyl)oxime
CID 9563759
4-(4-Methoxyphenyl)-1H-2,3-benzoxazin-1-one
CID 327657
(E)-3-[4-[(E)-2,3-dihydroinden-1-ylideneamino]oxyphenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 171345362
4-[(2-Methoxyphenyl)methylene]-3-phenylisoxazol-5-one
CID 745137
(9H-Fluoren-9-ylidene)amino 4-methoxybenzoate
CID 2244745
({[(1E)-6-methoxy-3,4-dihydronaphthalen-1(2H)-ylidene]amino}oxy)(2-methoxyphenyl)methanone
CID 5394094
[(1E)-2-Methyl-4-oxocyclohexa-2,5-dien-1-ylidene]amino 2-methoxybenzoate
CID 6941983
[(Z)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-methoxybenzoate
CID 5405431
[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino] 2-methoxybenzoate
CID 5730060

Frequently Asked Questions

What is the IUPAC name of (fluoren-9-ylideneamino) 2-methoxybenzoate?
The IUPAC name of (fluoren-9-ylideneamino) 2-methoxybenzoate (CID 2244742) is (fluoren-9-ylideneamino) 2-methoxybenzoate.
What is the SMILES notation for (fluoren-9-ylideneamino) 2-methoxybenzoate?
The canonical SMILES for (fluoren-9-ylideneamino) 2-methoxybenzoate is COc1ccccc1C(=O)ON=C1c2ccccc2-c2ccccc21.
What is the InChIKey of (fluoren-9-ylideneamino) 2-methoxybenzoate?
The InChIKey is GEPKWJCNDLTAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c1-24-19-13-7-6-12-18(19)21(23)25-22-20-16-10-4-2-8-14(16)15-9-3-5-11-17(15)20/h2-13H,1H3.
What are the key properties of (fluoren-9-ylideneamino) 2-methoxybenzoate?
(fluoren-9-ylideneamino) 2-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) 2-methoxybenzoate is sourced from PubChem (CID 2244742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).