4-[5-(4-formylphenoxy)pentoxy]benzaldehyde

C19H20O4 — CID 6421022

IUPAC4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
SMILESO=Cc1ccc(OCCCCCOc2ccc(C=O)cc2)cc1
InChIInChI=1S/C19H20O4/c20-14-16-4-8-18(9-5-16)22-12-2-1-3-13-23-19-10-6-17(15-21)7-11-19/h4-11,14-15H,1-3,12-13H2
InChIKeyJZWSXMHKNFDAHB-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.94
Rot. Bonds10

About 4-[5-(4-formylphenoxy)pentoxy]benzaldehyde

4-[5-(4-formylphenoxy)pentoxy]benzaldehyde (PubChem CID 6421022) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[5-(4-formylphenoxy)pentoxy]benzaldehyde.

Molecular Properties

Compound Name4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
PubChem CID6421022
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
SMILESO=Cc1ccc(OCCCCCOc2ccc(C=O)cc2)cc1
InChIInChI=1S/C19H20O4/c20-14-16-4-8-18(9-5-16)22-12-2-1-3-13-23-19-10-6-17(15-21)7-11-19/h4-11,14-15H,1-3,12-13H2
InChIKeyJZWSXMHKNFDAHB-UHFFFAOYSA-N
XLogP3.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
6-(4-formylphenoxy)hexyl formate
CID 144750186
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
4-[6-(4-bromophenoxy)hexoxy]benzaldehyde
CID 155015621
4-(10-bromodecoxy)benzaldehyde
CID 71345265
4-icosoxybenzaldehyde
CID 23127488
4-[4-(4-formylphenoxy)butyl]benzaldehyde
CID 87112127
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263
7-(4-formylphenoxy)heptanoic acid
CID 169448959
ethanol;4-octadecoxybenzaldehyde
CID 158692714
4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde
CID 18979506

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-formylphenoxy)pentoxy]benzaldehyde?
The IUPAC name of 4-[5-(4-formylphenoxy)pentoxy]benzaldehyde (CID 6421022) is 4-[5-(4-formylphenoxy)pentoxy]benzaldehyde.
What is the SMILES notation for 4-[5-(4-formylphenoxy)pentoxy]benzaldehyde?
The canonical SMILES for 4-[5-(4-formylphenoxy)pentoxy]benzaldehyde is O=Cc1ccc(OCCCCCOc2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[5-(4-formylphenoxy)pentoxy]benzaldehyde?
The InChIKey is JZWSXMHKNFDAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c20-14-16-4-8-18(9-5-16)22-12-2-1-3-13-23-19-10-6-17(15-21)7-11-19/h4-11,14-15H,1-3,12-13H2.
What are the key properties of 4-[5-(4-formylphenoxy)pentoxy]benzaldehyde?
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde has a molecular weight of 312.37 g/mol, XLogP of 3.94, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-formylphenoxy)pentoxy]benzaldehyde is sourced from PubChem (CID 6421022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).