3-(cyclohexylmethoxy)-2-fluorobenzaldehyde

C14H17FO2 — CID 58423208

IUPAC3-(cyclohexylmethoxy)-2-fluorobenzaldehyde
SMILESO=Cc1cccc(OCC2CCCCC2)c1F
InChIInChI=1S/C14H17FO2/c15-14-12(9-16)7-4-8-13(14)17-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2
InChIKeyHMIIOIORUALMSK-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.60
Rot. Bonds4

About 3-(cyclohexylmethoxy)-2-fluorobenzaldehyde

3-(cyclohexylmethoxy)-2-fluorobenzaldehyde (PubChem CID 58423208) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-2-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-2-fluorobenzaldehyde
PubChem CID58423208
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name3-(cyclohexylmethoxy)-2-fluorobenzaldehyde
SMILESO=Cc1cccc(OCC2CCCCC2)c1F
InChIInChI=1S/C14H17FO2/c15-14-12(9-16)7-4-8-13(14)17-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2
InChIKeyHMIIOIORUALMSK-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.60
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-(cyclohexylmethoxy)-2-fluorobenzaldehyde?
The IUPAC name of 3-(cyclohexylmethoxy)-2-fluorobenzaldehyde (CID 58423208) is 3-(cyclohexylmethoxy)-2-fluorobenzaldehyde.
What is the SMILES notation for 3-(cyclohexylmethoxy)-2-fluorobenzaldehyde?
The canonical SMILES for 3-(cyclohexylmethoxy)-2-fluorobenzaldehyde is O=Cc1cccc(OCC2CCCCC2)c1F.
What is the InChIKey of 3-(cyclohexylmethoxy)-2-fluorobenzaldehyde?
The InChIKey is HMIIOIORUALMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c15-14-12(9-16)7-4-8-13(14)17-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2.
What are the key properties of 3-(cyclohexylmethoxy)-2-fluorobenzaldehyde?
3-(cyclohexylmethoxy)-2-fluorobenzaldehyde has a molecular weight of 236.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-2-fluorobenzaldehyde is sourced from PubChem (CID 58423208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).