14-[(4-methoxyphenyl)methoxy]tetradecanal

C22H36O3 — CID 25186279

IUPAC14-[(4-methoxyphenyl)methoxy]tetradecanal
SMILESCOc1ccc(COCCCCCCCCCCCCCC=O)cc1
InChIInChI=1S/C22H36O3/c1-24-22-16-14-21(15-17-22)20-25-19-13-11-9-7-5-3-2-4-6-8-10-12-18-23/h14-18H,2-13,19-20H2,1H3
InChIKeyNUKZBPNOXDVYDO-UHFFFAOYSA-N
MW348.53 g/mol
LogP6.09
Rot. Bonds17

About 14-[(4-methoxyphenyl)methoxy]tetradecanal

14-[(4-methoxyphenyl)methoxy]tetradecanal (PubChem CID 25186279) has the molecular formula C22H36O3 and a molecular weight of 348.53 g/mol. Its IUPAC name is 14-[(4-methoxyphenyl)methoxy]tetradecanal.

Molecular Properties

Compound Name14-[(4-methoxyphenyl)methoxy]tetradecanal
PubChem CID25186279
Molecular FormulaC22H36O3
Molecular Weight348.53 g/mol
Exact Mass348.27
IUPAC Name14-[(4-methoxyphenyl)methoxy]tetradecanal
SMILESCOc1ccc(COCCCCCCCCCCCCCC=O)cc1
InChIInChI=1S/C22H36O3/c1-24-22-16-14-21(15-17-22)20-25-19-13-11-9-7-5-3-2-4-6-8-10-12-18-23/h14-18H,2-13,19-20H2,1H3
InChIKeyNUKZBPNOXDVYDO-UHFFFAOYSA-N
XLogP6.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.09
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

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ethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate
CID 72700869
1-iodo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799167
1-bromo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799162
(3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine
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CID 11279700

Frequently Asked Questions

What is the IUPAC name of 14-[(4-methoxyphenyl)methoxy]tetradecanal?
The IUPAC name of 14-[(4-methoxyphenyl)methoxy]tetradecanal (CID 25186279) is 14-[(4-methoxyphenyl)methoxy]tetradecanal.
What is the SMILES notation for 14-[(4-methoxyphenyl)methoxy]tetradecanal?
The canonical SMILES for 14-[(4-methoxyphenyl)methoxy]tetradecanal is COc1ccc(COCCCCCCCCCCCCCC=O)cc1.
What is the InChIKey of 14-[(4-methoxyphenyl)methoxy]tetradecanal?
The InChIKey is NUKZBPNOXDVYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O3/c1-24-22-16-14-21(15-17-22)20-25-19-13-11-9-7-5-3-2-4-6-8-10-12-18-23/h14-18H,2-13,19-20H2,1H3.
What are the key properties of 14-[(4-methoxyphenyl)methoxy]tetradecanal?
14-[(4-methoxyphenyl)methoxy]tetradecanal has a molecular weight of 348.53 g/mol, XLogP of 6.09, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[(4-methoxyphenyl)methoxy]tetradecanal is sourced from PubChem (CID 25186279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).