2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde

C14H9ClFNO4 — CID 115955758

IUPAC2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde
SMILESO=Cc1cccc(F)c1OCc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H9ClFNO4/c15-11-4-5-13(17(19)20)10(6-11)8-21-14-9(7-18)2-1-3-12(14)16/h1-7H,8H2
InChIKeyHMEXHEQZRWDRLR-UHFFFAOYSA-N
MW309.68 g/mol
LogP3.78
Rot. Bonds5

About 2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde

2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde (PubChem CID 115955758) has the molecular formula C14H9ClFNO4 and a molecular weight of 309.68 g/mol. Its IUPAC name is 2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde
PubChem CID115955758
Molecular FormulaC14H9ClFNO4
Molecular Weight309.68 g/mol
Exact Mass309.02
IUPAC Name2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde
SMILESO=Cc1cccc(F)c1OCc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H9ClFNO4/c15-11-4-5-13(17(19)20)10(6-11)8-21-14-9(7-18)2-1-3-12(14)16/h1-7H,8H2
InChIKeyHMEXHEQZRWDRLR-UHFFFAOYSA-N
XLogP3.78
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-[(4-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde
CID 115955783
1-(bromomethyl)-2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzene
CID 115956808
1-chloro-3-(chloromethyl)-2-[(5-chloro-2-nitrophenyl)methoxy]benzene
CID 115956577
2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611712
1-(bromomethyl)-3-fluoro-2-[(5-fluoro-2-nitrophenyl)methoxy]benzene
CID 115956803
3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde
CID 112611220
3-[(5-chloro-2-nitrophenyl)methoxy]phenol
CID 79579722
3-[(5-chloro-2-nitrophenyl)methoxy]aniline
CID 79579913
3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde
CID 112611434
1-chloro-3-fluoro-2-[(3-fluoro-4-nitrophenyl)methoxy]benzene
CID 83051816
3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
CID 112611552
5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde
CID 112652333

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde?
The IUPAC name of 2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde (CID 115955758) is 2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde.
What is the SMILES notation for 2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde?
The canonical SMILES for 2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde is O=Cc1cccc(F)c1OCc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde?
The InChIKey is HMEXHEQZRWDRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO4/c15-11-4-5-13(17(19)20)10(6-11)8-21-14-9(7-18)2-1-3-12(14)16/h1-7H,8H2.
What are the key properties of 2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde?
2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde has a molecular weight of 309.68 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde is sourced from PubChem (CID 115955758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).