4-[(4-fluorophenyl)methoxy]cyclohexan-1-one

C13H15FO2 — CID 58923671

IUPAC4-[(4-fluorophenyl)methoxy]cyclohexan-1-one
SMILESO=C1CCC(OCc2ccc(F)cc2)CC1
InChIInChI=1S/C13H15FO2/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-4,13H,5-9H2
InChIKeyGZMWWHDLEOKRQR-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.85
Rot. Bonds3

About 4-[(4-fluorophenyl)methoxy]cyclohexan-1-one

4-[(4-fluorophenyl)methoxy]cyclohexan-1-one (PubChem CID 58923671) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]cyclohexan-1-one
PubChem CID58923671
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name4-[(4-fluorophenyl)methoxy]cyclohexan-1-one
SMILESO=C1CCC(OCc2ccc(F)cc2)CC1
InChIInChI=1S/C13H15FO2/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-4,13H,5-9H2
InChIKeyGZMWWHDLEOKRQR-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]cyclohexan-1-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]cyclohexan-1-one (CID 58923671) is 4-[(4-fluorophenyl)methoxy]cyclohexan-1-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]cyclohexan-1-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]cyclohexan-1-one is O=C1CCC(OCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]cyclohexan-1-one?
The InChIKey is GZMWWHDLEOKRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-4,13H,5-9H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]cyclohexan-1-one?
4-[(4-fluorophenyl)methoxy]cyclohexan-1-one has a molecular weight of 222.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]cyclohexan-1-one is sourced from PubChem (CID 58923671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).