2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol

C18H26FNO — CID 114347509

IUPAC2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
SMILESCc1cc(F)ccc1CC(O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H26FNO/c1-14-12-16(19)7-6-15(14)13-17(21)18(8-2-3-9-18)20-10-4-5-11-20/h6-7,12,17,21H,2-5,8-11,13H2,1H3
InChIKeyQBVGVKLNOKIEDT-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.45
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol

2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol (PubChem CID 114347509) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
PubChem CID114347509
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
SMILESCc1cc(F)ccc1CC(O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H26FNO/c1-14-12-16(19)7-6-15(14)13-17(21)18(8-2-3-9-18)20-10-4-5-11-20/h6-7,12,17,21H,2-5,8-11,13H2,1H3
InChIKeyQBVGVKLNOKIEDT-UHFFFAOYSA-N
XLogP3.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol (CID 114347509) is 2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol is Cc1cc(F)ccc1CC(O)C1(N2CCCC2)CCCC1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol?
The InChIKey is QBVGVKLNOKIEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-14-12-16(19)7-6-15(14)13-17(21)18(8-2-3-9-18)20-10-4-5-11-20/h6-7,12,17,21H,2-5,8-11,13H2,1H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol?
2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol has a molecular weight of 291.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol is sourced from PubChem (CID 114347509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).