[1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol

C11H13Cl2NO — CID 117028440

IUPAC[1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2NO/c12-9-4-1-5-10(11(9)13)14-6-2-3-8(14)7-15/h1,4-5,8,15H,2-3,6-7H2
InChIKeyAYYMDJKZEOCEQE-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.95
Rot. Bonds2

About [1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol

[1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol (PubChem CID 117028440) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is [1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol
PubChem CID117028440
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name[1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2NO/c12-9-4-1-5-10(11(9)13)14-6-2-3-8(14)7-15/h1,4-5,8,15H,2-3,6-7H2
InChIKeyAYYMDJKZEOCEQE-UHFFFAOYSA-N
XLogP2.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenecarbothioamide
CID 62495647
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CID 116634940
[1-(2-fluorophenyl)piperidin-2-yl]methanol
CID 68536498
[1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 61407421
[(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol
CID 139951713
[1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 114068349
2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 61409798
3-chloro-4-[2-(hydroxymethyl)pyrrolidin-1-yl]benzonitrile
CID 63092296
2-chloro-6-(2-ethylpyrrolidin-1-yl)benzoic acid
CID 54882707
2-amino-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
CID 115545034
[1-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]piperidin-2-yl]methanol
CID 59087192
[4-(2-chlorophenyl)morpholin-3-yl]methanol
CID 117009212

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol (CID 117028440) is [1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol is OCC1CCCN1c1cccc(Cl)c1Cl.
What is the InChIKey of [1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol?
The InChIKey is AYYMDJKZEOCEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-9-4-1-5-10(11(9)13)14-6-2-3-8(14)7-15/h1,4-5,8,15H,2-3,6-7H2.
What are the key properties of [1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol?
[1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol has a molecular weight of 246.14 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 117028440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).