(4-formyl-2-methoxyphenyl) 4-fluorobenzoate

C15H11FO4 — CID 766120

IUPAC(4-formyl-2-methoxyphenyl) 4-fluorobenzoate
SMILESCOc1cc(C=O)ccc1OC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H11FO4/c1-19-14-8-10(9-17)2-7-13(14)20-15(18)11-3-5-12(16)6-4-11/h2-9H,1H3
InChIKeyFFZDAPSMYHGRBQ-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.87
Rot. Bonds4

About (4-formyl-2-methoxyphenyl) 4-fluorobenzoate

(4-formyl-2-methoxyphenyl) 4-fluorobenzoate (PubChem CID 766120) has the molecular formula C15H11FO4 and a molecular weight of 274.25 g/mol. Its IUPAC name is (4-formyl-2-methoxyphenyl) 4-fluorobenzoate.

Molecular Properties

Compound Name(4-formyl-2-methoxyphenyl) 4-fluorobenzoate
PubChem CID766120
Molecular FormulaC15H11FO4
Molecular Weight274.25 g/mol
Exact Mass274.06
IUPAC Name(4-formyl-2-methoxyphenyl) 4-fluorobenzoate
SMILESCOc1cc(C=O)ccc1OC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H11FO4/c1-19-14-8-10(9-17)2-7-13(14)20-15(18)11-3-5-12(16)6-4-11/h2-9H,1H3
InChIKeyFFZDAPSMYHGRBQ-UHFFFAOYSA-N
XLogP2.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 4-fluorobenzoate
CID 36827938
[4-[(Z)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 6297666
[4-[(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 5195139
(4-formyl-2-methoxyphenyl) 3,4,5-trihydroxybenzoate
CID 175007012
[4-[(E)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 39114487
[4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 7179994
(4-formyl-2-methoxyphenyl) 6-(2-fluoroprop-2-enoyloxy)naphthalene-2-carboxylate
CID 134189637
[4-[2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 3271004
(4-formyl-2,6-dimethoxyphenyl) 3,4-dimethoxybenzoate
CID 820014
(4-formyl-2-methoxyphenyl) 2-methylpropanoate
CID 539829
[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 9023689
(2,4-diformylphenyl) 4-formylbenzoate
CID 130308399

Frequently Asked Questions

What is the IUPAC name of (4-formyl-2-methoxyphenyl) 4-fluorobenzoate?
The IUPAC name of (4-formyl-2-methoxyphenyl) 4-fluorobenzoate (CID 766120) is (4-formyl-2-methoxyphenyl) 4-fluorobenzoate.
What is the SMILES notation for (4-formyl-2-methoxyphenyl) 4-fluorobenzoate?
The canonical SMILES for (4-formyl-2-methoxyphenyl) 4-fluorobenzoate is COc1cc(C=O)ccc1OC(=O)c1ccc(F)cc1.
What is the InChIKey of (4-formyl-2-methoxyphenyl) 4-fluorobenzoate?
The InChIKey is FFZDAPSMYHGRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO4/c1-19-14-8-10(9-17)2-7-13(14)20-15(18)11-3-5-12(16)6-4-11/h2-9H,1H3.
What are the key properties of (4-formyl-2-methoxyphenyl) 4-fluorobenzoate?
(4-formyl-2-methoxyphenyl) 4-fluorobenzoate has a molecular weight of 274.25 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formyl-2-methoxyphenyl) 4-fluorobenzoate is sourced from PubChem (CID 766120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).