3-(4-chlorophenoxy)-4-fluorobenzaldehyde

C13H8ClFO2 — CID 15917717

IUPAC3-(4-chlorophenoxy)-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)c(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H8ClFO2/c14-10-2-4-11(5-3-10)17-13-7-9(8-16)1-6-12(13)15/h1-8H
InChIKeyRMJBWFCCIDKLKH-UHFFFAOYSA-N
MW250.66 g/mol
LogP4.08
Rot. Bonds3

About 3-(4-chlorophenoxy)-4-fluorobenzaldehyde

3-(4-chlorophenoxy)-4-fluorobenzaldehyde (PubChem CID 15917717) has the molecular formula C13H8ClFO2 and a molecular weight of 250.66 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-4-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-4-fluorobenzaldehyde
PubChem CID15917717
Molecular FormulaC13H8ClFO2
Molecular Weight250.66 g/mol
Exact Mass250.02
IUPAC Name3-(4-chlorophenoxy)-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)c(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H8ClFO2/c14-10-2-4-11(5-3-10)17-13-7-9(8-16)1-6-12(13)15/h1-8H
InChIKeyRMJBWFCCIDKLKH-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 54.08
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
Ethanone, 1-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-
CID 71230842
4-Fluoro-3-phenoxybenzaldehyde
CID 110068
3-Benzyloxybenzaldehyde
CID 74342
3-Ethoxybenzaldehyde
CID 89908
3-((4-Fluorobenzyl)oxy)benzaldehyde
CID 735483
6-Chloro-2-(4-fluorophenyl)chromen-4-one
CID 919250
(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

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-4-fluorobenzaldehyde?
The IUPAC name of 3-(4-chlorophenoxy)-4-fluorobenzaldehyde (CID 15917717) is 3-(4-chlorophenoxy)-4-fluorobenzaldehyde.
What is the SMILES notation for 3-(4-chlorophenoxy)-4-fluorobenzaldehyde?
The canonical SMILES for 3-(4-chlorophenoxy)-4-fluorobenzaldehyde is O=Cc1ccc(F)c(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenoxy)-4-fluorobenzaldehyde?
The InChIKey is RMJBWFCCIDKLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO2/c14-10-2-4-11(5-3-10)17-13-7-9(8-16)1-6-12(13)15/h1-8H.
What are the key properties of 3-(4-chlorophenoxy)-4-fluorobenzaldehyde?
3-(4-chlorophenoxy)-4-fluorobenzaldehyde has a molecular weight of 250.66 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-4-fluorobenzaldehyde is sourced from PubChem (CID 15917717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).