4-[6-(4-formylphenyl)hexyl]benzaldehyde

C20H22O2 — CID 174975156

IUPAC4-[6-(4-formylphenyl)hexyl]benzaldehyde
SMILESO=Cc1ccc(CCCCCCc2ccc(C=O)cc2)cc1
InChIInChI=1S/C20H22O2/c21-15-19-11-7-17(8-12-19)5-3-1-2-4-6-18-9-13-20(16-22)14-10-18/h7-16H,1-6H2
InChIKeyWBPLCFGFYVKGML-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.66
Rot. Bonds9

About 4-[6-(4-formylphenyl)hexyl]benzaldehyde

4-[6-(4-formylphenyl)hexyl]benzaldehyde (PubChem CID 174975156) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-[6-(4-formylphenyl)hexyl]benzaldehyde.

Molecular Properties

Compound Name4-[6-(4-formylphenyl)hexyl]benzaldehyde
PubChem CID174975156
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name4-[6-(4-formylphenyl)hexyl]benzaldehyde
SMILESO=Cc1ccc(CCCCCCc2ccc(C=O)cc2)cc1
InChIInChI=1S/C20H22O2/c21-15-19-11-7-17(8-12-19)5-3-1-2-4-6-18-9-13-20(16-22)14-10-18/h7-16H,1-6H2
InChIKeyWBPLCFGFYVKGML-UHFFFAOYSA-N
XLogP4.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-pentylbenzaldehyde
CID 143882863
4-(7-methyloctyl)benzaldehyde
CID 173431651
4-[4-(4-formylphenoxy)butyl]benzaldehyde
CID 87112127
4-(4-hexylphenoxy)benzaldehyde
CID 142415162
4-(3-oxopropyl)benzaldehyde
CID 12927813
4-(8-methyl-7-oxonon-8-enyl)benzaldehyde
CID 158019415
4-[4-[ethyl(propyl)amino]butyl]benzaldehyde
CID 142783933
heptane;4-(2-hydroxyethyl)benzaldehyde
CID 158446902
4-(4-butylphenoxy)benzaldehyde
CID 10824839
4-(3-aminopropyl)benzaldehyde;propan-2-ol
CID 19825248
4-(2-methylsulfanylethyl)benzaldehyde
CID 174646405
4-[3,3-bis(sulfanyl)propyl]benzaldehyde
CID 57042412

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-formylphenyl)hexyl]benzaldehyde?
The IUPAC name of 4-[6-(4-formylphenyl)hexyl]benzaldehyde (CID 174975156) is 4-[6-(4-formylphenyl)hexyl]benzaldehyde.
What is the SMILES notation for 4-[6-(4-formylphenyl)hexyl]benzaldehyde?
The canonical SMILES for 4-[6-(4-formylphenyl)hexyl]benzaldehyde is O=Cc1ccc(CCCCCCc2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[6-(4-formylphenyl)hexyl]benzaldehyde?
The InChIKey is WBPLCFGFYVKGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c21-15-19-11-7-17(8-12-19)5-3-1-2-4-6-18-9-13-20(16-22)14-10-18/h7-16H,1-6H2.
What are the key properties of 4-[6-(4-formylphenyl)hexyl]benzaldehyde?
4-[6-(4-formylphenyl)hexyl]benzaldehyde has a molecular weight of 294.39 g/mol, XLogP of 4.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-formylphenyl)hexyl]benzaldehyde is sourced from PubChem (CID 174975156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).