[2-chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol

C17H18ClNO — CID 155808510

IUPAC[2-chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol
SMILESOCc1ccc(N2CCCC2c2ccccc2)cc1Cl
InChIInChI=1S/C17H18ClNO/c18-16-11-15(9-8-14(16)12-20)19-10-4-7-17(19)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17,20H,4,7,10,12H2
InChIKeyOSBBQKYAGFFXHU-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.17
Rot. Bonds3

About [2-chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol

[2-chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol (PubChem CID 155808510) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is [2-chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol
PubChem CID155808510
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name[2-chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol
SMILESOCc1ccc(N2CCCC2c2ccccc2)cc1Cl
InChIInChI=1S/C17H18ClNO/c18-16-11-15(9-8-14(16)12-20)19-10-4-7-17(19)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17,20H,4,7,10,12H2
InChIKeyOSBBQKYAGFFXHU-UHFFFAOYSA-N
XLogP4.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol?
The IUPAC name of [2-chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol (CID 155808510) is [2-chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol.
What is the SMILES notation for [2-chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol?
The canonical SMILES for [2-chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol is OCc1ccc(N2CCCC2c2ccccc2)cc1Cl.
What is the InChIKey of [2-chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol?
The InChIKey is OSBBQKYAGFFXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-16-11-15(9-8-14(16)12-20)19-10-4-7-17(19)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17,20H,4,7,10,12H2.
What are the key properties of [2-chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol?
[2-chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol has a molecular weight of 287.79 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol is sourced from PubChem (CID 155808510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).