4-(4-decoxyphenoxy)benzaldehyde

C23H30O3 — CID 22713263

IUPAC4-(4-decoxyphenoxy)benzaldehyde
SMILESCCCCCCCCCCOc1ccc(Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C23H30O3/c1-2-3-4-5-6-7-8-9-18-25-21-14-16-23(17-15-21)26-22-12-10-20(19-24)11-13-22/h10-17,19H,2-9,18H2,1H3
InChIKeyFABQOZLMSXMLHQ-UHFFFAOYSA-N
MW354.49 g/mol
LogP6.81
Rot. Bonds13

About 4-(4-decoxyphenoxy)benzaldehyde

4-(4-decoxyphenoxy)benzaldehyde (PubChem CID 22713263) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is 4-(4-decoxyphenoxy)benzaldehyde.

Molecular Properties

Compound Name4-(4-decoxyphenoxy)benzaldehyde
PubChem CID22713263
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name4-(4-decoxyphenoxy)benzaldehyde
SMILESCCCCCCCCCCOc1ccc(Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C23H30O3/c1-2-3-4-5-6-7-8-9-18-25-21-14-16-23(17-15-21)26-22-12-10-20(19-24)11-13-22/h10-17,19H,2-9,18H2,1H3
InChIKeyFABQOZLMSXMLHQ-UHFFFAOYSA-N
XLogP6.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 56.81
H-Bond Donors ≤ 50
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-icosoxybenzaldehyde
CID 23127488
ethanol;4-octadecoxybenzaldehyde
CID 158692714
3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 11094483
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[6-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyhexoxy]benzaldehyde
CID 102190987
dodecyl 10-(4-formylphenoxy)decyl phosphate
CID 101477710
4-(4-hexylphenoxy)benzaldehyde
CID 142415162
(4-formylphenyl) 4-octoxybenzoate
CID 4089388
3,5-didodecoxybenzaldehyde
CID 23127431
dodecyl-[2-(4-formylphenoxy)ethyl]-dimethylazanium
CID 101471102
1,4-di(tetradecoxy)benzene
CID 57023723

Frequently Asked Questions

What is the IUPAC name of 4-(4-decoxyphenoxy)benzaldehyde?
The IUPAC name of 4-(4-decoxyphenoxy)benzaldehyde (CID 22713263) is 4-(4-decoxyphenoxy)benzaldehyde.
What is the SMILES notation for 4-(4-decoxyphenoxy)benzaldehyde?
The canonical SMILES for 4-(4-decoxyphenoxy)benzaldehyde is CCCCCCCCCCOc1ccc(Oc2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-(4-decoxyphenoxy)benzaldehyde?
The InChIKey is FABQOZLMSXMLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O3/c1-2-3-4-5-6-7-8-9-18-25-21-14-16-23(17-15-21)26-22-12-10-20(19-24)11-13-22/h10-17,19H,2-9,18H2,1H3.
What are the key properties of 4-(4-decoxyphenoxy)benzaldehyde?
4-(4-decoxyphenoxy)benzaldehyde has a molecular weight of 354.49 g/mol, XLogP of 6.81, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-decoxyphenoxy)benzaldehyde is sourced from PubChem (CID 22713263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).