1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine

C27H27Cl2NO — CID 155812406

IUPAC1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine
SMILESC/C(=C(/c1ccc(Cl)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H27Cl2NO/c1-20(21-4-10-24(28)11-5-21)27(22-6-12-25(29)13-7-22)23-8-14-26(15-9-23)31-19-18-30-16-2-3-17-30/h4-15H,2-3,16-19H2,1H3/b27-20+
InChIKeyJZJVRWWQOOBJPJ-NHFJDJAPSA-N
MW452.43 g/mol
LogP7.45
Rot. Bonds7

About 1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine

1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine (PubChem CID 155812406) has the molecular formula C27H27Cl2NO and a molecular weight of 452.43 g/mol. Its IUPAC name is 1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine
PubChem CID155812406
Molecular FormulaC27H27Cl2NO
Molecular Weight452.43 g/mol
Exact Mass451.15
IUPAC Name1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine
SMILESC/C(=C(/c1ccc(Cl)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H27Cl2NO/c1-20(21-4-10-24(28)11-5-21)27(22-6-12-25(29)13-7-22)23-8-14-26(15-9-23)31-19-18-30-16-2-3-17-30/h4-15H,2-3,16-19H2,1H3/b27-20+
InChIKeyJZJVRWWQOOBJPJ-NHFJDJAPSA-N
XLogP7.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.43
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine
CID 155806165
4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol
CID 171935752
1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine
CID 71038694
(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 23553296
[4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate
CID 155816458
1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol
CID 107407990
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol
CID 11784901

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine (CID 155812406) is 1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine is C/C(=C(/c1ccc(Cl)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine?
The InChIKey is JZJVRWWQOOBJPJ-NHFJDJAPSA-N. The full InChI is InChI=1S/C27H27Cl2NO/c1-20(21-4-10-24(28)11-5-21)27(22-6-12-25(29)13-7-22)23-8-14-26(15-9-23)31-19-18-30-16-2-3-17-30/h4-15H,2-3,16-19H2,1H3/b27-20+.
What are the key properties of 1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine?
1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine has a molecular weight of 452.43 g/mol, XLogP of 7.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 155812406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).