4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde

C26H34O4 — CID 19038503

IUPAC4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
SMILESO=Cc1ccc(OCCCCCCCCCCCCOc2ccc(C=O)cc2)cc1
InChIInChI=1S/C26H34O4/c27-21-23-11-15-25(16-12-23)29-19-9-7-5-3-1-2-4-6-8-10-20-30-26-17-13-24(22-28)14-18-26/h11-18,21-22H,1-10,19-20H2
InChIKeySFOALOMUABTMCG-UHFFFAOYSA-N
MW410.55 g/mol
LogP6.67
Rot. Bonds17

About 4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde

4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde (PubChem CID 19038503) has the molecular formula C26H34O4 and a molecular weight of 410.55 g/mol. Its IUPAC name is 4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde.

Molecular Properties

Compound Name4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
PubChem CID19038503
Molecular FormulaC26H34O4
Molecular Weight410.55 g/mol
Exact Mass410.25
IUPAC Name4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
SMILESO=Cc1ccc(OCCCCCCCCCCCCOc2ccc(C=O)cc2)cc1
InChIInChI=1S/C26H34O4/c27-21-23-11-15-25(16-12-23)29-19-9-7-5-3-1-2-4-6-8-10-20-30-26-17-13-24(22-28)14-18-26/h11-18,21-22H,1-10,19-20H2
InChIKeySFOALOMUABTMCG-UHFFFAOYSA-N
XLogP6.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 56.67
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-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
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-[12-(4-formylphenoxy)dodecoxy]benzaldehyde?
The IUPAC name of 4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde (CID 19038503) is 4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde.
What is the SMILES notation for 4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde?
The canonical SMILES for 4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde is O=Cc1ccc(OCCCCCCCCCCCCOc2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde?
The InChIKey is SFOALOMUABTMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O4/c27-21-23-11-15-25(16-12-23)29-19-9-7-5-3-1-2-4-6-8-10-20-30-26-17-13-24(22-28)14-18-26/h11-18,21-22H,1-10,19-20H2.
What are the key properties of 4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde?
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde has a molecular weight of 410.55 g/mol, XLogP of 6.67, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde is sourced from PubChem (CID 19038503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).