4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde

C15H12FNO5 — CID 82057207

IUPAC4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde
SMILESCOc1cc(C=O)cc([N+](=O)[O-])c1OCc1cccc(F)c1
InChIInChI=1S/C15H12FNO5/c1-21-14-7-11(8-18)6-13(17(19)20)15(14)22-9-10-3-2-4-12(16)5-10/h2-8H,9H2,1H3
InChIKeyKGKMUAWFFGJSOV-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.13
Rot. Bonds6

About 4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde

4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde (PubChem CID 82057207) has the molecular formula C15H12FNO5 and a molecular weight of 305.26 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde
PubChem CID82057207
Molecular FormulaC15H12FNO5
Molecular Weight305.26 g/mol
Exact Mass305.07
IUPAC Name4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde
SMILESCOc1cc(C=O)cc([N+](=O)[O-])c1OCc1cccc(F)c1
InChIInChI=1S/C15H12FNO5/c1-21-14-7-11(8-18)6-13(17(19)20)15(14)22-9-10-3-2-4-12(16)5-10/h2-8H,9H2,1H3
InChIKeyKGKMUAWFFGJSOV-UHFFFAOYSA-N
XLogP3.13
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 882398
N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 142496937
methyl 5-[[(4Z)-4-[[4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126404557
4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene
CID 78767325
(4Z)-4-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-(3-methyl-4-nitrophenyl)-1,3-oxazol-5-one
CID 19667426
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
1-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxy-3-nitrobenzene
CID 166073962
(4Z)-2-(4-chloro-3-nitrophenyl)-4-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 19662374
N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841922
(4Z)-4-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 19664924
3-[(3-methylphenyl)methoxy]-4-nitrobenzaldehyde
CID 62116760
N-[(E)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110509605

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde?
The IUPAC name of 4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde (CID 82057207) is 4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde.
What is the SMILES notation for 4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde?
The canonical SMILES for 4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde is COc1cc(C=O)cc([N+](=O)[O-])c1OCc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde?
The InChIKey is KGKMUAWFFGJSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO5/c1-21-14-7-11(8-18)6-13(17(19)20)15(14)22-9-10-3-2-4-12(16)5-10/h2-8H,9H2,1H3.
What are the key properties of 4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde?
4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde has a molecular weight of 305.26 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde is sourced from PubChem (CID 82057207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).