[1-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrol-3-yl]methanol

C20H26FNO — CID 19993791

IUPAC[1-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrol-3-yl]methanol
SMILESCC(C)c1c(CO)c(-c2ccc(F)cc2)cn1C1CCCCC1
InChIInChI=1S/C20H26FNO/c1-14(2)20-19(13-23)18(15-8-10-16(21)11-9-15)12-22(20)17-6-4-3-5-7-17/h8-12,14,17,23H,3-7,13H2,1-2H3
InChIKeyIWRFAJGSOHOMPK-UHFFFAOYSA-N
MW315.43 g/mol
LogP5.42
Rot. Bonds4

About [1-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrol-3-yl]methanol

[1-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrol-3-yl]methanol (PubChem CID 19993791) has the molecular formula C20H26FNO and a molecular weight of 315.43 g/mol. Its IUPAC name is [1-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrol-3-yl]methanol
PubChem CID19993791
Molecular FormulaC20H26FNO
Molecular Weight315.43 g/mol
Exact Mass315.20
IUPAC Name[1-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrol-3-yl]methanol
SMILESCC(C)c1c(CO)c(-c2ccc(F)cc2)cn1C1CCCCC1
InChIInChI=1S/C20H26FNO/c1-14(2)20-19(13-23)18(15-8-10-16(21)11-9-15)12-22(20)17-6-4-3-5-7-17/h8-12,14,17,23H,3-7,13H2,1-2H3
InChIKeyIWRFAJGSOHOMPK-UHFFFAOYSA-N
XLogP5.42
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.43
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrol-3-yl]methanol?
The IUPAC name of [1-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrol-3-yl]methanol (CID 19993791) is [1-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrol-3-yl]methanol.
What is the SMILES notation for [1-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrol-3-yl]methanol?
The canonical SMILES for [1-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrol-3-yl]methanol is CC(C)c1c(CO)c(-c2ccc(F)cc2)cn1C1CCCCC1.
What is the InChIKey of [1-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrol-3-yl]methanol?
The InChIKey is IWRFAJGSOHOMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO/c1-14(2)20-19(13-23)18(15-8-10-16(21)11-9-15)12-22(20)17-6-4-3-5-7-17/h8-12,14,17,23H,3-7,13H2,1-2H3.
What are the key properties of [1-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrol-3-yl]methanol?
[1-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrol-3-yl]methanol has a molecular weight of 315.43 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrol-3-yl]methanol is sourced from PubChem (CID 19993791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).