4-[(4-fluorophenyl)methoxy]cyclohexa-2,4-diene-1-carbaldehyde

C14H13FO2 — CID 88931675

IUPAC4-[(4-fluorophenyl)methoxy]cyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1C=CC(OCc2ccc(F)cc2)=CC1
InChIInChI=1S/C14H13FO2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-3,5-9,11H,4,10H2
InChIKeyGFPPLGONIPPSRL-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.00
Rot. Bonds4

About 4-[(4-fluorophenyl)methoxy]cyclohexa-2,4-diene-1-carbaldehyde

4-[(4-fluorophenyl)methoxy]cyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 88931675) has the molecular formula C14H13FO2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]cyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]cyclohexa-2,4-diene-1-carbaldehyde
PubChem CID88931675
Molecular FormulaC14H13FO2
Molecular Weight232.25 g/mol
Exact Mass232.09
IUPAC Name4-[(4-fluorophenyl)methoxy]cyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1C=CC(OCc2ccc(F)cc2)=CC1
InChIInChI=1S/C14H13FO2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-3,5-9,11H,4,10H2
InChIKeyGFPPLGONIPPSRL-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.00
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 4-[(4-fluorophenyl)methoxy]cyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]cyclohexa-2,4-diene-1-carbaldehyde (CID 88931675) is 4-[(4-fluorophenyl)methoxy]cyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]cyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]cyclohexa-2,4-diene-1-carbaldehyde is O=CC1C=CC(OCc2ccc(F)cc2)=CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]cyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is GFPPLGONIPPSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-3,5-9,11H,4,10H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]cyclohexa-2,4-diene-1-carbaldehyde?
4-[(4-fluorophenyl)methoxy]cyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 232.25 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]cyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 88931675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).