3-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde

C14H10ClFO2 — CID 701102

IUPAC3-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2c(F)cccc2Cl)c1
InChIInChI=1S/C14H10ClFO2/c15-13-5-2-6-14(16)12(13)9-18-11-4-1-3-10(7-11)8-17/h1-8H,9H2
InChIKeyMOKRNGGWFAYLOD-UHFFFAOYSA-N
MW264.68 g/mol
LogP3.87
Rot. Bonds4

About 3-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde

3-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde (PubChem CID 701102) has the molecular formula C14H10ClFO2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde
PubChem CID701102
Molecular FormulaC14H10ClFO2
Molecular Weight264.68 g/mol
Exact Mass264.04
IUPAC Name3-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2c(F)cccc2Cl)c1
InChIInChI=1S/C14H10ClFO2/c15-13-5-2-6-14(16)12(13)9-18-11-4-1-3-10(7-11)8-17/h1-8H,9H2
InChIKeyMOKRNGGWFAYLOD-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 53.87
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

3-Phenoxybenzaldehyde
CID 38284
4-[(4-Chlorobenzyl)oxy]-3-ethoxybenzaldehyde
CID 693306
4-Fluoro-3-phenoxybenzaldehyde
CID 110068
3-Benzyloxybenzaldehyde
CID 74342
3-((4-Fluorobenzyl)oxy)benzaldehyde
CID 735483
(2E)-1-(4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 5346177
Benzoic acid, 4-chlorophenyl ester
CID 347761
3-[(3-Chlorophenyl)methoxy]benzoic acid
CID 8707035
3-[(3-Methylphenyl)methoxy]benzaldehyde
CID 3778700
4-[(4-Chlorobenzyl)oxy]benzaldehyde
CID 580647
4-((2,4-Dichlorophenyl)methoxy)-3-methoxybenzaldehyde
CID 735462
4-[(4-Fluorophenyl)methoxy]benzaldehyde
CID 735860

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde (CID 701102) is 3-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde is O=Cc1cccc(OCc2c(F)cccc2Cl)c1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde?
The InChIKey is MOKRNGGWFAYLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO2/c15-13-5-2-6-14(16)12(13)9-18-11-4-1-3-10(7-11)8-17/h1-8H,9H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde?
3-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde has a molecular weight of 264.68 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 701102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).