4-[4-[(3-fluorophenyl)methoxy]cyclohexyl]cyclohexan-1-one

C19H25FO2 — CID 67572000

IUPAC4-[4-[(3-fluorophenyl)methoxy]cyclohexyl]cyclohexan-1-one
SMILESO=C1CCC(C2CCC(OCc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C19H25FO2/c20-17-3-1-2-14(12-17)13-22-19-10-6-16(7-11-19)15-4-8-18(21)9-5-15/h1-3,12,15-16,19H,4-11,13H2
InChIKeyKBTVCHUSZNDVSG-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.66
Rot. Bonds4

About 4-[4-[(3-fluorophenyl)methoxy]cyclohexyl]cyclohexan-1-one

4-[4-[(3-fluorophenyl)methoxy]cyclohexyl]cyclohexan-1-one (PubChem CID 67572000) has the molecular formula C19H25FO2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-[4-[(3-fluorophenyl)methoxy]cyclohexyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[4-[(3-fluorophenyl)methoxy]cyclohexyl]cyclohexan-1-one
PubChem CID67572000
Molecular FormulaC19H25FO2
Molecular Weight304.40 g/mol
Exact Mass304.18
IUPAC Name4-[4-[(3-fluorophenyl)methoxy]cyclohexyl]cyclohexan-1-one
SMILESO=C1CCC(C2CCC(OCc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C19H25FO2/c20-17-3-1-2-14(12-17)13-22-19-10-6-16(7-11-19)15-4-8-18(21)9-5-15/h1-3,12,15-16,19H,4-11,13H2
InChIKeyKBTVCHUSZNDVSG-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-fluorophenyl)methoxy]cyclohexyl]cyclohexan-1-one?
The IUPAC name of 4-[4-[(3-fluorophenyl)methoxy]cyclohexyl]cyclohexan-1-one (CID 67572000) is 4-[4-[(3-fluorophenyl)methoxy]cyclohexyl]cyclohexan-1-one.
What is the SMILES notation for 4-[4-[(3-fluorophenyl)methoxy]cyclohexyl]cyclohexan-1-one?
The canonical SMILES for 4-[4-[(3-fluorophenyl)methoxy]cyclohexyl]cyclohexan-1-one is O=C1CCC(C2CCC(OCc3cccc(F)c3)CC2)CC1.
What is the InChIKey of 4-[4-[(3-fluorophenyl)methoxy]cyclohexyl]cyclohexan-1-one?
The InChIKey is KBTVCHUSZNDVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FO2/c20-17-3-1-2-14(12-17)13-22-19-10-6-16(7-11-19)15-4-8-18(21)9-5-15/h1-3,12,15-16,19H,4-11,13H2.
What are the key properties of 4-[4-[(3-fluorophenyl)methoxy]cyclohexyl]cyclohexan-1-one?
4-[4-[(3-fluorophenyl)methoxy]cyclohexyl]cyclohexan-1-one has a molecular weight of 304.40 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-fluorophenyl)methoxy]cyclohexyl]cyclohexan-1-one is sourced from PubChem (CID 67572000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).