cyclohexyl-[1-(4-fluorophenyl)-4-methylpyrrol-3-yl]methanol

C18H22FNO — CID 68514217

IUPACcyclohexyl-[1-(4-fluorophenyl)-4-methylpyrrol-3-yl]methanol
SMILESCc1cn(-c2ccc(F)cc2)cc1C(O)C1CCCCC1
InChIInChI=1S/C18H22FNO/c1-13-11-20(16-9-7-15(19)8-10-16)12-17(13)18(21)14-5-3-2-4-6-14/h7-12,14,18,21H,2-6H2,1H3
InChIKeyIKMQYCYTJJBDSR-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.54
Rot. Bonds3

About cyclohexyl-[1-(4-fluorophenyl)-4-methylpyrrol-3-yl]methanol

cyclohexyl-[1-(4-fluorophenyl)-4-methylpyrrol-3-yl]methanol (PubChem CID 68514217) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is cyclohexyl-[1-(4-fluorophenyl)-4-methylpyrrol-3-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[1-(4-fluorophenyl)-4-methylpyrrol-3-yl]methanol
PubChem CID68514217
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Namecyclohexyl-[1-(4-fluorophenyl)-4-methylpyrrol-3-yl]methanol
SMILESCc1cn(-c2ccc(F)cc2)cc1C(O)C1CCCCC1
InChIInChI=1S/C18H22FNO/c1-13-11-20(16-9-7-15(19)8-10-16)12-17(13)18(21)14-5-3-2-4-6-14/h7-12,14,18,21H,2-6H2,1H3
InChIKeyIKMQYCYTJJBDSR-UHFFFAOYSA-N
XLogP4.54
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[1-(4-fluorophenyl)-4-methylpyrrol-3-yl]methanol?
The IUPAC name of cyclohexyl-[1-(4-fluorophenyl)-4-methylpyrrol-3-yl]methanol (CID 68514217) is cyclohexyl-[1-(4-fluorophenyl)-4-methylpyrrol-3-yl]methanol.
What is the SMILES notation for cyclohexyl-[1-(4-fluorophenyl)-4-methylpyrrol-3-yl]methanol?
The canonical SMILES for cyclohexyl-[1-(4-fluorophenyl)-4-methylpyrrol-3-yl]methanol is Cc1cn(-c2ccc(F)cc2)cc1C(O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[1-(4-fluorophenyl)-4-methylpyrrol-3-yl]methanol?
The InChIKey is IKMQYCYTJJBDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-13-11-20(16-9-7-15(19)8-10-16)12-17(13)18(21)14-5-3-2-4-6-14/h7-12,14,18,21H,2-6H2,1H3.
What are the key properties of cyclohexyl-[1-(4-fluorophenyl)-4-methylpyrrol-3-yl]methanol?
cyclohexyl-[1-(4-fluorophenyl)-4-methylpyrrol-3-yl]methanol has a molecular weight of 287.38 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[1-(4-fluorophenyl)-4-methylpyrrol-3-yl]methanol is sourced from PubChem (CID 68514217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).