[2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol

C12H16ClNO — CID 83080326

IUPAC[2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1(Cc2ccccc2Cl)CCCN1
InChIInChI=1S/C12H16ClNO/c13-11-5-2-1-4-10(11)8-12(9-15)6-3-7-14-12/h1-2,4-5,14-15H,3,6-9H2
InChIKeyCVLLWLSPHXGSPL-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.00
Rot. Bonds3

About [2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol

[2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 83080326) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID83080326
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name[2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1(Cc2ccccc2Cl)CCCN1
InChIInChI=1S/C12H16ClNO/c13-11-5-2-1-4-10(11)8-12(9-15)6-3-7-14-12/h1-2,4-5,14-15H,3,6-9H2
InChIKeyCVLLWLSPHXGSPL-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol (CID 83080326) is [2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol is OCC1(Cc2ccccc2Cl)CCCN1.
What is the InChIKey of [2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is CVLLWLSPHXGSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-11-5-2-1-4-10(11)8-12(9-15)6-3-7-14-12/h1-2,4-5,14-15H,3,6-9H2.
What are the key properties of [2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol?
[2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 225.72 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 83080326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).