(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol

C19H22ClNO2 — CID 23553296

IUPAC(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
SMILESOC(c1ccc(Cl)cc1)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C19H22ClNO2/c20-17-7-3-15(4-8-17)19(22)16-5-9-18(10-6-16)23-14-13-21-11-1-2-12-21/h3-10,19,22H,1-2,11-14H2
InChIKeyZDKCEKCRDHIIFQ-UHFFFAOYSA-N
MW331.84 g/mol
LogP3.90
Rot. Bonds6

About (4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol

(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol (PubChem CID 23553296) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
PubChem CID23553296
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
SMILESOC(c1ccc(Cl)cc1)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C19H22ClNO2/c20-17-7-3-15(4-8-17)19(22)16-5-9-18(10-6-16)23-14-13-21-11-1-2-12-21/h3-10,19,22H,1-2,11-14H2
InChIKeyZDKCEKCRDHIIFQ-UHFFFAOYSA-N
XLogP3.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol 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

(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol
CID 78933445
1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine
CID 155812406
2-hydroxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 139930605
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
[4-(2-pyrrolidin-1-ylethoxy)phenyl]-(1,3-thiazol-5-yl)methanol
CID 10828365
[2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol
CID 23553243
CID 161147503
CID 161147503
(2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 66515465
1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol
CID 107407990
4-[2-[4-[1-(4-chlorophenyl)ethyl]phenoxy]ethyl]morpholine
CID 58923289
1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine
CID 155806165

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol?
The IUPAC name of (4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol (CID 23553296) is (4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol.
What is the SMILES notation for (4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol?
The canonical SMILES for (4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol is OC(c1ccc(Cl)cc1)c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol?
The InChIKey is ZDKCEKCRDHIIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c20-17-7-3-15(4-8-17)19(22)16-5-9-18(10-6-16)23-14-13-21-11-1-2-12-21/h3-10,19,22H,1-2,11-14H2.
What are the key properties of (4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol?
(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol has a molecular weight of 331.84 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol is sourced from PubChem (CID 23553296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).