4-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-1-one

C18H25FO2 — CID 43793307

IUPAC4-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-1-one
SMILESCCC1CCCCC1OCCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H25FO2/c1-2-14-6-3-4-8-18(14)21-13-5-7-17(20)15-9-11-16(19)12-10-15/h9-12,14,18H,2-8,13H2,1H3
InChIKeySGJMNVMKNYMXTR-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.77
Rot. Bonds7

About 4-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-1-one

4-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-1-one (PubChem CID 43793307) has the molecular formula C18H25FO2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-1-one
PubChem CID43793307
Molecular FormulaC18H25FO2
Molecular Weight292.39 g/mol
Exact Mass292.18
IUPAC Name4-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-1-one
SMILESCCC1CCCCC1OCCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H25FO2/c1-2-14-6-3-4-8-18(14)21-13-5-7-17(20)15-9-11-16(19)12-10-15/h9-12,14,18H,2-8,13H2,1H3
InChIKeySGJMNVMKNYMXTR-UHFFFAOYSA-N
XLogP4.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-4-(3-methylcyclohexyl)oxybutan-1-one
CID 43793788
1-(2,4-difluorophenyl)-2-(2-ethylcyclohexyl)oxyethanone
CID 43798188
1-(4-fluorophenyl)-4-heptoxybutan-1-one
CID 43793694
1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one
CID 43793381
4-[(2-ethylcyclohexyl)oxymethyl]-3-fluorobenzoic acid
CID 63073948
2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43798165
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
ethyl 3-(2-ethylcyclohexyl)oxypropanoate
CID 43365260
1-(3-bromopropoxy)-2-ethylcyclohexane
CID 43135438
4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 61421543
4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 104967925
1-(6-chlorohexoxy)-2-ethylcyclohexane
CID 63499299

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-1-one (CID 43793307) is 4-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-1-one is CCC1CCCCC1OCCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-1-one?
The InChIKey is SGJMNVMKNYMXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO2/c1-2-14-6-3-4-8-18(14)21-13-5-7-17(20)15-9-11-16(19)12-10-15/h9-12,14,18H,2-8,13H2,1H3.
What are the key properties of 4-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-1-one?
4-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-1-one has a molecular weight of 292.39 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 43793307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).