3-[(4-fluorophenyl)methoxy]benzaldehyde

C14H11FO2 — CID 735483

IUPAC3-[(4-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C14H11FO2/c15-13-6-4-11(5-7-13)10-17-14-3-1-2-12(8-14)9-16/h1-9H,10H2
InChIKeyAPCQACNSEVZMIQ-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.22
Rot. Bonds4

About 3-[(4-fluorophenyl)methoxy]benzaldehyde

3-[(4-fluorophenyl)methoxy]benzaldehyde (PubChem CID 735483) has the molecular formula C14H11FO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]benzaldehyde
PubChem CID735483
Molecular FormulaC14H11FO2
Molecular Weight230.24 g/mol
Exact Mass230.07
IUPAC Name3-[(4-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C14H11FO2/c15-13-6-4-11(5-7-13)10-17-14-3-1-2-12(8-14)9-16/h1-9H,10H2
InChIKeyAPCQACNSEVZMIQ-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]benzaldehyde?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]benzaldehyde (CID 735483) is 3-[(4-fluorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]benzaldehyde is O=Cc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]benzaldehyde?
The InChIKey is APCQACNSEVZMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2/c15-13-6-4-11(5-7-13)10-17-14-3-1-2-12(8-14)9-16/h1-9H,10H2.
What are the key properties of 3-[(4-fluorophenyl)methoxy]benzaldehyde?
3-[(4-fluorophenyl)methoxy]benzaldehyde has a molecular weight of 230.24 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 735483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).