4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde

C19H20O3 — CID 87614482

IUPAC4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(OC3CCCC3)cc2)cc1
InChIInChI=1S/C19H20O3/c20-13-15-5-9-17(10-6-15)21-14-16-7-11-19(12-8-16)22-18-3-1-2-4-18/h5-13,18H,1-4,14H2
InChIKeyQNSJQTMMBDAUGQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.40
Rot. Bonds6

About 4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde

4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde (PubChem CID 87614482) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde
PubChem CID87614482
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(OC3CCCC3)cc2)cc1
InChIInChI=1S/C19H20O3/c20-13-15-5-9-17(10-6-15)21-14-16-7-11-19(12-8-16)22-18-3-1-2-4-18/h5-13,18H,1-4,14H2
InChIKeyQNSJQTMMBDAUGQ-UHFFFAOYSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde?
The IUPAC name of 4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde (CID 87614482) is 4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde?
The canonical SMILES for 4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde is O=Cc1ccc(OCc2ccc(OC3CCCC3)cc2)cc1.
What is the InChIKey of 4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde?
The InChIKey is QNSJQTMMBDAUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c20-13-15-5-9-17(10-6-15)21-14-16-7-11-19(12-8-16)22-18-3-1-2-4-18/h5-13,18H,1-4,14H2.
What are the key properties of 4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde?
4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde has a molecular weight of 296.37 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 87614482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).