[5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanol

C14H20ClNO — CID 114845830

IUPAC[5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanol
SMILESCCC1CCC(C)N1c1ccc(Cl)cc1CO
InChIInChI=1S/C14H20ClNO/c1-3-13-6-4-10(2)16(13)14-7-5-12(15)8-11(14)9-17/h5,7-8,10,13,17H,3-4,6,9H2,1-2H3
InChIKeyQWUNCMOUJVEDDV-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.60
Rot. Bonds3

About [5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanol

[5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanol (PubChem CID 114845830) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is [5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanol
PubChem CID114845830
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name[5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanol
SMILESCCC1CCC(C)N1c1ccc(Cl)cc1CO
InChIInChI=1S/C14H20ClNO/c1-3-13-6-4-10(2)16(13)14-7-5-12(15)8-11(14)9-17/h5,7-8,10,13,17H,3-4,6,9H2,1-2H3
InChIKeyQWUNCMOUJVEDDV-UHFFFAOYSA-N
XLogP3.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanol?
The IUPAC name of [5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanol (CID 114845830) is [5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanol is CCC1CCC(C)N1c1ccc(Cl)cc1CO.
What is the InChIKey of [5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanol?
The InChIKey is QWUNCMOUJVEDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-13-6-4-10(2)16(13)14-7-5-12(15)8-11(14)9-17/h5,7-8,10,13,17H,3-4,6,9H2,1-2H3.
What are the key properties of [5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanol?
[5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanol has a molecular weight of 253.77 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanol is sourced from PubChem (CID 114845830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).