4-[1-(4-formylphenoxy)butoxy]benzaldehyde

C18H18O4 — CID 87311039

IUPAC4-[1-(4-formylphenoxy)butoxy]benzaldehyde
SMILESCCCC(Oc1ccc(C=O)cc1)Oc1ccc(C=O)cc1
InChIInChI=1S/C18H18O4/c1-2-3-18(21-16-8-4-14(12-19)5-9-16)22-17-10-6-15(13-20)7-11-17/h4-13,18H,2-3H2,1H3
InChIKeyRGYJCQIBKLYSEX-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.90
Rot. Bonds8

About 4-[1-(4-formylphenoxy)butoxy]benzaldehyde

4-[1-(4-formylphenoxy)butoxy]benzaldehyde (PubChem CID 87311039) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-[1-(4-formylphenoxy)butoxy]benzaldehyde.

Molecular Properties

Compound Name4-[1-(4-formylphenoxy)butoxy]benzaldehyde
PubChem CID87311039
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name4-[1-(4-formylphenoxy)butoxy]benzaldehyde
SMILESCCCC(Oc1ccc(C=O)cc1)Oc1ccc(C=O)cc1
InChIInChI=1S/C18H18O4/c1-2-3-18(21-16-8-4-14(12-19)5-9-16)22-17-10-6-15(13-20)7-11-17/h4-13,18H,2-3H2,1H3
InChIKeyRGYJCQIBKLYSEX-UHFFFAOYSA-N
XLogP3.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(1-oxohexan-2-yloxy)benzaldehyde
CID 88989986
4-[(2S)-octan-2-yl]oxybenzaldehyde
CID 29003502
4-(difluoromethoxy)benzaldehyde
CID 2736986
1-(2-bromoethyl)-4-(1-phenoxybutoxy)benzene
CID 67580767
4-hexan-3-ylbenzaldehyde
CID 142249319
4-(2-hydroxyhexoxy)benzaldehyde
CID 87847240
4-icosoxybenzaldehyde
CID 23127488
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
(4-formylphenyl) 4-[(2S)-heptan-2-yl]oxybenzoate
CID 54148276
2-(4-formylphenoxy)propane-1-sulfonic acid
CID 140547084
4-[4-(4-propan-2-yloxyphenyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]anilino]benzaldehyde
CID 168953005
4-heptan-4-ylbenzaldehyde;heptan-4-ylbenzene
CID 157461357

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-formylphenoxy)butoxy]benzaldehyde?
The IUPAC name of 4-[1-(4-formylphenoxy)butoxy]benzaldehyde (CID 87311039) is 4-[1-(4-formylphenoxy)butoxy]benzaldehyde.
What is the SMILES notation for 4-[1-(4-formylphenoxy)butoxy]benzaldehyde?
The canonical SMILES for 4-[1-(4-formylphenoxy)butoxy]benzaldehyde is CCCC(Oc1ccc(C=O)cc1)Oc1ccc(C=O)cc1.
What is the InChIKey of 4-[1-(4-formylphenoxy)butoxy]benzaldehyde?
The InChIKey is RGYJCQIBKLYSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-2-3-18(21-16-8-4-14(12-19)5-9-16)22-17-10-6-15(13-20)7-11-17/h4-13,18H,2-3H2,1H3.
What are the key properties of 4-[1-(4-formylphenoxy)butoxy]benzaldehyde?
4-[1-(4-formylphenoxy)butoxy]benzaldehyde has a molecular weight of 298.34 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-formylphenoxy)butoxy]benzaldehyde is sourced from PubChem (CID 87311039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).