1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine

C28H31NO2 — CID 6444966

IUPAC1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine
SMILESCOc1ccc(C/C(=C/c2ccc(OCCN3CCCC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C28H31NO2/c1-30-27-13-9-23(10-14-27)21-26(25-7-3-2-4-8-25)22-24-11-15-28(16-12-24)31-20-19-29-17-5-6-18-29/h2-4,7-16,22H,5-6,17-21H2,1H3/b26-22-
InChIKeyJXJKUFLOEBQKFH-ROMGYVFFSA-N
MW413.56 g/mol
LogP5.95
Rot. Bonds9

About 1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine

1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine (PubChem CID 6444966) has the molecular formula C28H31NO2 and a molecular weight of 413.56 g/mol. Its IUPAC name is 1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine
PubChem CID6444966
Molecular FormulaC28H31NO2
Molecular Weight413.56 g/mol
Exact Mass413.24
IUPAC Name1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine
SMILESCOc1ccc(C/C(=C/c2ccc(OCCN3CCCC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C28H31NO2/c1-30-27-13-9-23(10-14-27)21-26(25-7-3-2-4-8-25)22-24-11-15-28(16-12-24)31-20-19-29-17-5-6-18-29/h2-4,7-16,22H,5-6,17-21H2,1H3/b26-22-
InChIKeyJXJKUFLOEBQKFH-ROMGYVFFSA-N
XLogP5.95
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-3-(4-methoxyphenyl)-2-methylprop-1-enyl]phenol
CID 155813769
1-[2-[4-[(Z)-1,2-diphenylpent-2-en-3-yl]phenoxy]ethyl]piperidine
CID 10296016
1-[2-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine
CID 70142376
(E)-1-(2-chlorophenyl)-2-phenyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one
CID 6433865
1-[4-[2-(azepan-1-yl)ethoxy]phenyl]propan-2-one
CID 70526687
(2R)-2-[(S)-(4-methoxyphenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-phenylbutan-1-one
CID 97356311
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
(Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid
CID 20993089
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine (CID 6444966) is 1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine is COc1ccc(C/C(=C/c2ccc(OCCN3CCCC3)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine?
The InChIKey is JXJKUFLOEBQKFH-ROMGYVFFSA-N. The full InChI is InChI=1S/C28H31NO2/c1-30-27-13-9-23(10-14-27)21-26(25-7-3-2-4-8-25)22-24-11-15-28(16-12-24)31-20-19-29-17-5-6-18-29/h2-4,7-16,22H,5-6,17-21H2,1H3/b26-22-.
What are the key properties of 1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine?
1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine has a molecular weight of 413.56 g/mol, XLogP of 5.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 6444966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).