[3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol

C12H15Cl2NO — CID 66057552

IUPAC[3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1(Cc2cc(Cl)ccc2Cl)CCNC1
InChIInChI=1S/C12H15Cl2NO/c13-10-1-2-11(14)9(5-10)6-12(8-16)3-4-15-7-12/h1-2,5,15-16H,3-4,6-8H2
InChIKeyJTMHRRUVGIVVAL-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.51
Rot. Bonds3

About [3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol

[3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 66057552) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is [3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID66057552
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name[3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1(Cc2cc(Cl)ccc2Cl)CCNC1
InChIInChI=1S/C12H15Cl2NO/c13-10-1-2-11(14)9(5-10)6-12(8-16)3-4-15-7-12/h1-2,5,15-16H,3-4,6-8H2
InChIKeyJTMHRRUVGIVVAL-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol (CID 66057552) is [3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol is OCC1(Cc2cc(Cl)ccc2Cl)CCNC1.
What is the InChIKey of [3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is JTMHRRUVGIVVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-10-1-2-11(14)9(5-10)6-12(8-16)3-4-15-7-12/h1-2,5,15-16H,3-4,6-8H2.
What are the key properties of [3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol?
[3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 260.16 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 66057552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).