2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone

C15H19FO2 — CID 62383925

IUPAC2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone
SMILESO=C(COCC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C15H19FO2/c16-14-8-6-13(7-9-14)15(17)11-18-10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2
InChIKeyXOHDRMPTDNIQMS-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.61
Rot. Bonds5

About 2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone

2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone (PubChem CID 62383925) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone
PubChem CID62383925
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone
SMILESO=C(COCC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C15H19FO2/c16-14-8-6-13(7-9-14)15(17)11-18-10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2
InChIKeyXOHDRMPTDNIQMS-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-2-(cyclopentylmethoxy)ethanone
CID 66321803
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone
CID 62381534
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone
CID 66322656
2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 66323732
1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone
CID 66322654
[4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate
CID 59172643
4-(cyclohexylmethoxy)-1-phenylbutan-1-one
CID 62382636
4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid
CID 63075026
3-cyclopropyl-1-(4-fluorophenyl)propan-1-one
CID 18507946
1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206467
1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone
CID 43798677

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone (CID 62383925) is 2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone is O=C(COCC1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of 2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone?
The InChIKey is XOHDRMPTDNIQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c16-14-8-6-13(7-9-14)15(17)11-18-10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2.
What are the key properties of 2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone?
2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone has a molecular weight of 250.31 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 62383925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).