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

C27H28ClNO — CID 155806165

IUPAC1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine
SMILESC/C(=C(/c1ccc(Cl)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C27H28ClNO/c1-21(22-7-3-2-4-8-22)27(23-9-13-25(28)14-10-23)24-11-15-26(16-12-24)30-20-19-29-17-5-6-18-29/h2-4,7-16H,5-6,17-20H2,1H3/b27-21+
InChIKeyKVSVHYYEVWAPGT-SZXQPVLSSA-N
MW417.98 g/mol
LogP6.79
Rot. Bonds7

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

1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine (PubChem CID 155806165) has the molecular formula C27H28ClNO and a molecular weight of 417.98 g/mol. Its IUPAC name is 1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine
PubChem CID155806165
Molecular FormulaC27H28ClNO
Molecular Weight417.98 g/mol
Exact Mass417.19
IUPAC Name1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine
SMILESC/C(=C(/c1ccc(Cl)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C27H28ClNO/c1-21(22-7-3-2-4-8-22)27(23-9-13-25(28)14-10-23)24-11-15-26(16-12-24)30-20-19-29-17-5-6-18-29/h2-4,7-16H,5-6,17-20H2,1H3/b27-21+
InChIKeyKVSVHYYEVWAPGT-SZXQPVLSSA-N
XLogP6.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.98
LogP ≤ 56.79
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)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine
CID 155812406
[4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate
CID 155816458
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
1-[3-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]propyl]pyrrolidine
CID 144608980
1-[2-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine
CID 70142376
1-[4-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]butyl]piperidine
CID 21469785
(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 23553296
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
1-[2-[3-[2-ethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]ethyl]pyrrolidine
CID 132508115
3-[1,1-bis[4-[2-(azepan-1-yl)ethoxy]phenyl]but-1-en-2-yl]benzoic acid
CID 132566962
1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine
CID 12888164

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine (CID 155806165) is 1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine is C/C(=C(/c1ccc(Cl)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1.
What is the InChIKey of 1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine?
The InChIKey is KVSVHYYEVWAPGT-SZXQPVLSSA-N. The full InChI is InChI=1S/C27H28ClNO/c1-21(22-7-3-2-4-8-22)27(23-9-13-25(28)14-10-23)24-11-15-26(16-12-24)30-20-19-29-17-5-6-18-29/h2-4,7-16H,5-6,17-20H2,1H3/b27-21+.
What are the key properties of 1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine?
1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine has a molecular weight of 417.98 g/mol, XLogP of 6.79, 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-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 155806165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).