4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde

C21H26O3 — CID 18979506

IUPAC4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(OCCCCCCCCO)cc2)cc1
InChIInChI=1S/C21H26O3/c22-15-5-3-1-2-4-6-16-24-21-13-11-20(12-14-21)19-9-7-18(17-23)8-10-19/h7-14,17,22H,1-6,15-16H2
InChIKeyIWOMGIXFRDFQET-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.88
Rot. Bonds11

About 4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde

4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde (PubChem CID 18979506) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde
PubChem CID18979506
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(OCCCCCCCCO)cc2)cc1
InChIInChI=1S/C21H26O3/c22-15-5-3-1-2-4-6-16-24-21-13-11-20(12-14-21)19-9-7-18(17-23)8-10-19/h7-14,17,22H,1-6,15-16H2
InChIKeyIWOMGIXFRDFQET-UHFFFAOYSA-N
XLogP4.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.88
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-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
4-[4-(4-formylphenyl)-2,5-bis(6-hydroxyhexoxy)phenyl]benzaldehyde
CID 176682328
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-icosoxybenzaldehyde
CID 23127488
4-[6-(4-bromophenoxy)hexoxy]benzaldehyde
CID 155015621

Frequently Asked Questions

What is the IUPAC name of 4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde?
The IUPAC name of 4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde (CID 18979506) is 4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde.
What is the SMILES notation for 4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde?
The canonical SMILES for 4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde is O=Cc1ccc(-c2ccc(OCCCCCCCCO)cc2)cc1.
What is the InChIKey of 4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde?
The InChIKey is IWOMGIXFRDFQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c22-15-5-3-1-2-4-6-16-24-21-13-11-20(12-14-21)19-9-7-18(17-23)8-10-19/h7-14,17,22H,1-6,15-16H2.
What are the key properties of 4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde?
4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde has a molecular weight of 326.44 g/mol, XLogP of 4.88, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde is sourced from PubChem (CID 18979506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).