2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone

C20H24FNO2 — CID 71006983

IUPAC2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
SMILESCc1cc(C(=O)COC2CCCCC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C20H24FNO2/c1-14-12-19(20(23)13-24-18-6-4-3-5-7-18)15(2)22(14)17-10-8-16(21)9-11-17/h8-12,18H,3-7,13H2,1-2H3
InChIKeyOHHDXCZMKSJXNF-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.77
Rot. Bonds5

About 2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone

2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone (PubChem CID 71006983) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
PubChem CID71006983
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
SMILESCc1cc(C(=O)COC2CCCCC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C20H24FNO2/c1-14-12-19(20(23)13-24-18-6-4-3-5-7-18)15(2)22(14)17-10-8-16(21)9-11-17/h8-12,18H,3-7,13H2,1-2H3
InChIKeyOHHDXCZMKSJXNF-UHFFFAOYSA-N
XLogP4.77
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone?
The IUPAC name of 2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone (CID 71006983) is 2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone.
What is the SMILES notation for 2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone?
The canonical SMILES for 2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone is Cc1cc(C(=O)COC2CCCCC2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of 2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone?
The InChIKey is OHHDXCZMKSJXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-14-12-19(20(23)13-24-18-6-4-3-5-7-18)15(2)22(14)17-10-8-16(21)9-11-17/h8-12,18H,3-7,13H2,1-2H3.
What are the key properties of 2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone?
2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone has a molecular weight of 329.42 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone is sourced from PubChem (CID 71006983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).