[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]methanol

C12H16ClNO — CID 3579693

IUPAC[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c13-11-4-1-3-10(7-11)8-14-6-2-5-12(14)9-15/h1,3-4,7,12,15H,2,5-6,8-9H2
InChIKeyIXQJBLJHJCIFBR-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.30
Rot. Bonds3

About [1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]methanol

[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 3579693) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID3579693
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c13-11-4-1-3-10(7-11)8-14-6-2-5-12(14)9-15/h1,3-4,7,12,15H,2,5-6,8-9H2
InChIKeyIXQJBLJHJCIFBR-UHFFFAOYSA-N
XLogP2.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]methanol (CID 3579693) is [1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1Cc1cccc(Cl)c1.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is IXQJBLJHJCIFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-11-4-1-3-10(7-11)8-14-6-2-5-12(14)9-15/h1,3-4,7,12,15H,2,5-6,8-9H2.
What are the key properties of [1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]methanol?
[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 225.72 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 3579693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).