4-(16-hydroxyhexadecoxy)benzaldehyde

C23H38O3 — CID 22987553

IUPAC4-(16-hydroxyhexadecoxy)benzaldehyde
SMILESO=Cc1ccc(OCCCCCCCCCCCCCCCCO)cc1
InChIInChI=1S/C23H38O3/c24-19-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-26-23-17-15-22(21-25)16-18-23/h15-18,21,24H,1-14,19-20H2
InChIKeyFLMFLCHQUHATED-UHFFFAOYSA-N
MW362.55 g/mol
LogP6.33
Rot. Bonds18

About 4-(16-hydroxyhexadecoxy)benzaldehyde

4-(16-hydroxyhexadecoxy)benzaldehyde (PubChem CID 22987553) has the molecular formula C23H38O3 and a molecular weight of 362.55 g/mol. Its IUPAC name is 4-(16-hydroxyhexadecoxy)benzaldehyde.

Molecular Properties

Compound Name4-(16-hydroxyhexadecoxy)benzaldehyde
PubChem CID22987553
Molecular FormulaC23H38O3
Molecular Weight362.55 g/mol
Exact Mass362.28
IUPAC Name4-(16-hydroxyhexadecoxy)benzaldehyde
SMILESO=Cc1ccc(OCCCCCCCCCCCCCCCCO)cc1
InChIInChI=1S/C23H38O3/c24-19-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-26-23-17-15-22(21-25)16-18-23/h15-18,21,24H,1-14,19-20H2
InChIKeyFLMFLCHQUHATED-UHFFFAOYSA-N
XLogP6.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.55
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde
CID 18979506
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
ethanol;4-octadecoxybenzaldehyde
CID 158692714
10-bromodecan-1-ol;4-hydroxybenzaldehyde;4-(10-hydroxydecoxy)benzaldehyde;tris(phosphanyl)phosphane
CID 157178006
6-(4-formylphenoxy)hexyl formate
CID 144750186
4-[6-(4-bromophenoxy)hexoxy]benzaldehyde
CID 155015621
4-(10-bromodecoxy)benzaldehyde
CID 71345265
4-icosoxybenzaldehyde
CID 23127488
7-(4-formylphenoxy)heptanoic acid
CID 169448959
4-(2-fluoroethoxy)benzaldehyde
CID 15058649

Frequently Asked Questions

What is the IUPAC name of 4-(16-hydroxyhexadecoxy)benzaldehyde?
The IUPAC name of 4-(16-hydroxyhexadecoxy)benzaldehyde (CID 22987553) is 4-(16-hydroxyhexadecoxy)benzaldehyde.
What is the SMILES notation for 4-(16-hydroxyhexadecoxy)benzaldehyde?
The canonical SMILES for 4-(16-hydroxyhexadecoxy)benzaldehyde is O=Cc1ccc(OCCCCCCCCCCCCCCCCO)cc1.
What is the InChIKey of 4-(16-hydroxyhexadecoxy)benzaldehyde?
The InChIKey is FLMFLCHQUHATED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O3/c24-19-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-26-23-17-15-22(21-25)16-18-23/h15-18,21,24H,1-14,19-20H2.
What are the key properties of 4-(16-hydroxyhexadecoxy)benzaldehyde?
4-(16-hydroxyhexadecoxy)benzaldehyde has a molecular weight of 362.55 g/mol, XLogP of 6.33, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(16-hydroxyhexadecoxy)benzaldehyde is sourced from PubChem (CID 22987553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).