2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol

C17H18ClNO — CID 82986596

IUPAC2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol
SMILESOc1ccc(CN2CCC(c3ccccc3)C2)cc1Cl
InChIInChI=1S/C17H18ClNO/c18-16-10-13(6-7-17(16)20)11-19-9-8-15(12-19)14-4-2-1-3-5-14/h1-7,10,15,20H,8-9,11-12H2
InChIKeyNAAWUACVUIOWGS-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.04
Rot. Bonds3

About 2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol

2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol (PubChem CID 82986596) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol
PubChem CID82986596
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol
SMILESOc1ccc(CN2CCC(c3ccccc3)C2)cc1Cl
InChIInChI=1S/C17H18ClNO/c18-16-10-13(6-7-17(16)20)11-19-9-8-15(12-19)14-4-2-1-3-5-14/h1-7,10,15,20H,8-9,11-12H2
InChIKeyNAAWUACVUIOWGS-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[(3-phenylpyrrolidin-1-yl)methyl]phenol
CID 82985685
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
4-(4-benzylmorpholin-2-yl)-2-chlorophenol
CID 66654072
2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide
CID 91832085
2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol
CID 82974669
2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol
CID 82979175
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
2-chloro-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)phenol
CID 82980522
2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol
CID 82981318
3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one
CID 44529572
2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol
CID 45215252
4-[(3-phenylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 62133576

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol?
The IUPAC name of 2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol (CID 82986596) is 2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol?
The canonical SMILES for 2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol is Oc1ccc(CN2CCC(c3ccccc3)C2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol?
The InChIKey is NAAWUACVUIOWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-16-10-13(6-7-17(16)20)11-19-9-8-15(12-19)14-4-2-1-3-5-14/h1-7,10,15,20H,8-9,11-12H2.
What are the key properties of 2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol?
2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol has a molecular weight of 287.79 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol is sourced from PubChem (CID 82986596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).