4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde

C19H19ClO2 — CID 135357943

IUPAC4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde
SMILESO=Cc1ccc(Cl)cc1Oc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H19ClO2/c20-17-9-6-16(13-21)19(12-17)22-18-10-7-15(8-11-18)14-4-2-1-3-5-14/h6-14H,1-5H2
InChIKeyWFDXAASAWDBDAF-UHFFFAOYSA-N
MW314.81 g/mol
LogP5.99
Rot. Bonds4

About 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde

4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde (PubChem CID 135357943) has the molecular formula C19H19ClO2 and a molecular weight of 314.81 g/mol. Its IUPAC name is 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde
PubChem CID135357943
Molecular FormulaC19H19ClO2
Molecular Weight314.81 g/mol
Exact Mass314.11
IUPAC Name4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde
SMILESO=Cc1ccc(Cl)cc1Oc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H19ClO2/c20-17-9-6-16(13-21)19(12-17)22-18-10-7-15(8-11-18)14-4-2-1-3-5-14/h6-14H,1-5H2
InChIKeyWFDXAASAWDBDAF-UHFFFAOYSA-N
XLogP5.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.81
LogP ≤ 55.99
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

4'-Chloroflavone
CID 151515
(3E)-3-((4-Chlorophenyl)methylene)-2,3-dihydro-4H-1-benzopyran-4-one
CID 2305452
7-(4-Chlorobenzyloxy)-1-tetralone
CID 23353468
4-[(4-Chlorobenzyl)oxy]benzaldehyde
CID 580647
(E)-3-(4-Chlorostyryl)-4H-chromen-4-one
CID 12156777
2-[(2,4-Dichlorobenzyl)oxy]-1-naphthaldehyde
CID 737537
6-((4-Chlorobenzyl)oxy)-3,4-dihydronaphthalen-1(2H)-one
CID 13067328
4'-Chloro-6-methylflavone
CID 643579
4'-Chloroflavanone
CID 242065
(E)-2-(4-Chlorostyryl)-4H-chromen-4-one
CID 6479057
2-[(2-Chlorobenzyl)oxy]benzaldehyde
CID 693298
2-[(4-Chlorophenyl)methoxy]benzaldehyde
CID 693299

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde?
The IUPAC name of 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde (CID 135357943) is 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde.
What is the SMILES notation for 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde?
The canonical SMILES for 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde is O=Cc1ccc(Cl)cc1Oc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde?
The InChIKey is WFDXAASAWDBDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO2/c20-17-9-6-16(13-21)19(12-17)22-18-10-7-15(8-11-18)14-4-2-1-3-5-14/h6-14H,1-5H2.
What are the key properties of 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde?
4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde has a molecular weight of 314.81 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde is sourced from PubChem (CID 135357943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).