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

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CID 114520610
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2-(3-methylcyclohexyl)oxy-1-(4-methylsulfanylphenyl)ethanone
CID 43800934
4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline
CID 62566177
1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800886
1-(4-fluorophenyl)-4-(3-methylcyclohexyl)oxybutan-1-one
CID 43793788
[2-(4-fluorophenyl)-2-oxoethyl] 4-[(3aS,5R,7aR)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoate
CID 98278655
4-[(4-methylcyclohexyl)oxymethyl]benzoic acid
CID 43185253
cyclopropyl 4-fluorobenzoate
CID 126986458
1-[4-(4-fluorophenyl)phenyl]-2-methoxyethanone
CID 146011430
4-O-[2-(4-fluorophenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239651
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CID 62383925

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).