1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone

C15H19FO2 — CID 43798677

IUPAC1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone
SMILESCC1CCC(OCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FO2/c1-11-2-8-14(9-3-11)18-10-15(17)12-4-6-13(16)7-5-12/h4-7,11,14H,2-3,8-10H2,1H3
InChIKeyLHFBMWZJHPNVQS-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.60
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone

1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone (PubChem CID 43798677) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone
PubChem CID43798677
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone
SMILESCC1CCC(OCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FO2/c1-11-2-8-14(9-3-11)18-10-15(17)12-4-6-13(16)7-5-12/h4-7,11,14H,2-3,8-10H2,1H3
InChIKeyLHFBMWZJHPNVQS-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Diethoxyacetophenone
CID 22555
Ethyl benzoylformate
CID 15349
Methyl phenylglyoxalate
CID 84835
Benzoin ethyl ether
CID 101778
Ethanone, 2-(acetyloxy)-1-phenyl-
CID 222851
Ethanone, 2-(1-methylethoxy)-1,2-diphenyl-
CID 110912
Pibecarb
CID 71114
(Oxirane-2,3-diyl)bis(phenylmethanone)
CID 20502
2-Methoxy-1-phenylethanone
CID 77698
2,2-Di-sec-butoxyacetophenone
CID 93376
Ethyl 2-(4-methylphenyl)-2-oxoacetate
CID 2736443
Benzoin isobutyl ether
CID 90794

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone (CID 43798677) is 1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone is CC1CCC(OCC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone?
The InChIKey is LHFBMWZJHPNVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-11-2-8-14(9-3-11)18-10-15(17)12-4-6-13(16)7-5-12/h4-7,11,14H,2-3,8-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone?
1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone has a molecular weight of 250.31 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 1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone is sourced from PubChem (CID 43798677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).