4-(6-hydroxyhexoxy)benzaldehyde

C13H18O3 — CID 15051082

IUPAC4-(6-hydroxyhexoxy)benzaldehyde
SMILESO=Cc1ccc(OCCCCCCO)cc1
InChIInChI=1S/C13H18O3/c14-9-3-1-2-4-10-16-13-7-5-12(11-15)6-8-13/h5-8,11,14H,1-4,9-10H2
InChIKeyYCKLLCWNZUJZHZ-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.43
Rot. Bonds8

About 4-(6-hydroxyhexoxy)benzaldehyde

4-(6-hydroxyhexoxy)benzaldehyde (PubChem CID 15051082) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-(6-hydroxyhexoxy)benzaldehyde.

Molecular Properties

Compound Name4-(6-hydroxyhexoxy)benzaldehyde
PubChem CID15051082
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name4-(6-hydroxyhexoxy)benzaldehyde
SMILESO=Cc1ccc(OCCCCCCO)cc1
InChIInChI=1S/C13H18O3/c14-9-3-1-2-4-10-16-13-7-5-12(11-15)6-8-13/h5-8,11,14H,1-4,9-10H2
InChIKeyYCKLLCWNZUJZHZ-UHFFFAOYSA-N
XLogP2.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.43
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-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
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-(6-hydroxyhexoxy)benzaldehyde?
The IUPAC name of 4-(6-hydroxyhexoxy)benzaldehyde (CID 15051082) is 4-(6-hydroxyhexoxy)benzaldehyde.
What is the SMILES notation for 4-(6-hydroxyhexoxy)benzaldehyde?
The canonical SMILES for 4-(6-hydroxyhexoxy)benzaldehyde is O=Cc1ccc(OCCCCCCO)cc1.
What is the InChIKey of 4-(6-hydroxyhexoxy)benzaldehyde?
The InChIKey is YCKLLCWNZUJZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c14-9-3-1-2-4-10-16-13-7-5-12(11-15)6-8-13/h5-8,11,14H,1-4,9-10H2.
What are the key properties of 4-(6-hydroxyhexoxy)benzaldehyde?
4-(6-hydroxyhexoxy)benzaldehyde has a molecular weight of 222.28 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxyhexoxy)benzaldehyde is sourced from PubChem (CID 15051082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).