2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol

C17H18ClNO — CID 82974669

IUPAC2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol
SMILESOc1ccc(CN2CCCC2c2ccccc2)cc1Cl
InChIInChI=1S/C17H18ClNO/c18-15-11-13(8-9-17(15)20)12-19-10-4-7-16(19)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16,20H,4,7,10,12H2
InChIKeyIHWSINDZPPNZJJ-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.38
Rot. Bonds3

About 2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol

2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol (PubChem CID 82974669) 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)methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol
PubChem CID82974669
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol
SMILESOc1ccc(CN2CCCC2c2ccccc2)cc1Cl
InChIInChI=1S/C17H18ClNO/c18-15-11-13(8-9-17(15)20)12-19-10-4-7-16(19)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16,20H,4,7,10,12H2
InChIKeyIHWSINDZPPNZJJ-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol
CID 82980644
2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol
CID 82986596
4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide
CID 51476383
1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine
CID 20895828
2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol
CID 103886816
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
4-(1-benzylpyrrolidin-2-yl)benzonitrile
CID 164673724
1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine
CID 55506302
3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol
CID 15293226
1-[(3-chloro-4-hydroxyphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102787029
2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol
CID 45215252
2-chloro-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)phenol
CID 82980522

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol?
The IUPAC name of 2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol (CID 82974669) is 2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol?
The canonical SMILES for 2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol is Oc1ccc(CN2CCCC2c2ccccc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol?
The InChIKey is IHWSINDZPPNZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-15-11-13(8-9-17(15)20)12-19-10-4-7-16(19)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16,20H,4,7,10,12H2.
What are the key properties of 2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol?
2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol has a molecular weight of 287.79 g/mol, XLogP of 4.38, 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)methyl]phenol is sourced from PubChem (CID 82974669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).