2-[4-(2-formylphenoxy)butoxy]benzaldehyde

C18H18O4 — CID 3090117

IUPAC2-[4-(2-formylphenoxy)butoxy]benzaldehyde
SMILESO=Cc1ccccc1OCCCCOc1ccccc1C=O
InChIInChI=1S/C18H18O4/c19-13-15-7-1-3-9-17(15)21-11-5-6-12-22-18-10-4-2-8-16(18)14-20/h1-4,7-10,13-14H,5-6,11-12H2
InChIKeyWNEFNKQASOEBOX-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.55
Rot. Bonds9

About 2-[4-(2-formylphenoxy)butoxy]benzaldehyde

2-[4-(2-formylphenoxy)butoxy]benzaldehyde (PubChem CID 3090117) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[4-(2-formylphenoxy)butoxy]benzaldehyde.

Molecular Properties

Compound Name2-[4-(2-formylphenoxy)butoxy]benzaldehyde
PubChem CID3090117
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name2-[4-(2-formylphenoxy)butoxy]benzaldehyde
SMILESO=Cc1ccccc1OCCCCOc1ccccc1C=O
InChIInChI=1S/C18H18O4/c19-13-15-7-1-3-9-17(15)21-11-5-6-12-22-18-10-4-2-8-16(18)14-20/h1-4,7-10,13-14H,5-6,11-12H2
InChIKeyWNEFNKQASOEBOX-UHFFFAOYSA-N
XLogP3.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-(4-hydroxybutoxy)benzaldehyde
CID 60773519
2-(3-phenoxypropoxy)benzaldehyde
CID 60665355
2-[5-(dimethylamino)pentoxy]benzaldehyde
CID 21404637
3-(2-formylphenoxy)propane-1-sulfonic acid
CID 14946404
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde
CID 11389108
2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde
CID 175203615
2-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 103033818
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034
2-methoxy-3-pentoxybenzaldehyde
CID 82161467
2-[2-(2,3,6-trimethylphenoxy)ethoxy]benzaldehyde
CID 20989910
2-(2-hydroxy-2-methylpropoxy)benzaldehyde
CID 60884222

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-formylphenoxy)butoxy]benzaldehyde?
The IUPAC name of 2-[4-(2-formylphenoxy)butoxy]benzaldehyde (CID 3090117) is 2-[4-(2-formylphenoxy)butoxy]benzaldehyde.
What is the SMILES notation for 2-[4-(2-formylphenoxy)butoxy]benzaldehyde?
The canonical SMILES for 2-[4-(2-formylphenoxy)butoxy]benzaldehyde is O=Cc1ccccc1OCCCCOc1ccccc1C=O.
What is the InChIKey of 2-[4-(2-formylphenoxy)butoxy]benzaldehyde?
The InChIKey is WNEFNKQASOEBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c19-13-15-7-1-3-9-17(15)21-11-5-6-12-22-18-10-4-2-8-16(18)14-20/h1-4,7-10,13-14H,5-6,11-12H2.
What are the key properties of 2-[4-(2-formylphenoxy)butoxy]benzaldehyde?
2-[4-(2-formylphenoxy)butoxy]benzaldehyde has a molecular weight of 298.34 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-formylphenoxy)butoxy]benzaldehyde is sourced from PubChem (CID 3090117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).