4-cyclohexyl-3-(2-fluorophenyl)-4-methoxybutanal

C17H23FO2 — CID 87954853

IUPAC4-cyclohexyl-3-(2-fluorophenyl)-4-methoxybutanal
SMILESCOC(C1CCCCC1)C(CC=O)c1ccccc1F
InChIInChI=1S/C17H23FO2/c1-20-17(13-7-3-2-4-8-13)15(11-12-19)14-9-5-6-10-16(14)18/h5-6,9-10,12-13,15,17H,2-4,7-8,11H2,1H3
InChIKeySGGQXNJADGZQFX-UHFFFAOYSA-N
MW278.37 g/mol
LogP4.09
Rot. Bonds6

About 4-cyclohexyl-3-(2-fluorophenyl)-4-methoxybutanal

4-cyclohexyl-3-(2-fluorophenyl)-4-methoxybutanal (PubChem CID 87954853) has the molecular formula C17H23FO2 and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-cyclohexyl-3-(2-fluorophenyl)-4-methoxybutanal.

Molecular Properties

Compound Name4-cyclohexyl-3-(2-fluorophenyl)-4-methoxybutanal
PubChem CID87954853
Molecular FormulaC17H23FO2
Molecular Weight278.37 g/mol
Exact Mass278.17
IUPAC Name4-cyclohexyl-3-(2-fluorophenyl)-4-methoxybutanal
SMILESCOC(C1CCCCC1)C(CC=O)c1ccccc1F
InChIInChI=1S/C17H23FO2/c1-20-17(13-7-3-2-4-8-13)15(11-12-19)14-9-5-6-10-16(14)18/h5-6,9-10,12-13,15,17H,2-4,7-8,11H2,1H3
InChIKeySGGQXNJADGZQFX-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 54.09
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-cyclohexyl-3-(2-fluorophenyl)-4-methoxybutanal?
The IUPAC name of 4-cyclohexyl-3-(2-fluorophenyl)-4-methoxybutanal (CID 87954853) is 4-cyclohexyl-3-(2-fluorophenyl)-4-methoxybutanal.
What is the SMILES notation for 4-cyclohexyl-3-(2-fluorophenyl)-4-methoxybutanal?
The canonical SMILES for 4-cyclohexyl-3-(2-fluorophenyl)-4-methoxybutanal is COC(C1CCCCC1)C(CC=O)c1ccccc1F.
What is the InChIKey of 4-cyclohexyl-3-(2-fluorophenyl)-4-methoxybutanal?
The InChIKey is SGGQXNJADGZQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO2/c1-20-17(13-7-3-2-4-8-13)15(11-12-19)14-9-5-6-10-16(14)18/h5-6,9-10,12-13,15,17H,2-4,7-8,11H2,1H3.
What are the key properties of 4-cyclohexyl-3-(2-fluorophenyl)-4-methoxybutanal?
4-cyclohexyl-3-(2-fluorophenyl)-4-methoxybutanal has a molecular weight of 278.37 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-(2-fluorophenyl)-4-methoxybutanal is sourced from PubChem (CID 87954853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).