5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde

C14H9Cl2FO2 — CID 112652333

IUPAC5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(Cl)ccc1OCc1cccc(F)c1Cl
InChIInChI=1S/C14H9Cl2FO2/c15-11-4-5-13(10(6-11)7-18)19-8-9-2-1-3-12(17)14(9)16/h1-7H,8H2
InChIKeyBVGJSAOSZDTLKA-UHFFFAOYSA-N
MW299.13 g/mol
LogP4.52
Rot. Bonds4

About 5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde

5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde (PubChem CID 112652333) has the molecular formula C14H9Cl2FO2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde
PubChem CID112652333
Molecular FormulaC14H9Cl2FO2
Molecular Weight299.13 g/mol
Exact Mass298.00
IUPAC Name5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(Cl)ccc1OCc1cccc(F)c1Cl
InChIInChI=1S/C14H9Cl2FO2/c15-11-4-5-13(10(6-11)7-18)19-8-9-2-1-3-12(17)14(9)16/h1-7H,8H2
InChIKeyBVGJSAOSZDTLKA-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde
CID 115886848
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde
CID 43324795
5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde
CID 43244328
2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697199
2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697829
2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid
CID 143555960
5-chloro-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699555
(1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol
CID 103954685
1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115984032
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
CID 107698873
5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
CID 63530846
2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 2063523

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde?
The IUPAC name of 5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde (CID 112652333) is 5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde is O=Cc1cc(Cl)ccc1OCc1cccc(F)c1Cl.
What is the InChIKey of 5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde?
The InChIKey is BVGJSAOSZDTLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO2/c15-11-4-5-13(10(6-11)7-18)19-8-9-2-1-3-12(17)14(9)16/h1-7H,8H2.
What are the key properties of 5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde?
5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde has a molecular weight of 299.13 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 112652333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).