5-(4-bromophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylpent-4-en-1-ol

C27H30BrNO2 — CID 176731772

IUPAC5-(4-bromophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylpent-4-en-1-ol
SMILESCN(C)CCOc1ccc(C(=C(CCCO)c2ccccc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C27H30BrNO2/c1-29(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(28)15-11-22)26(9-6-19-30)21-7-4-3-5-8-21/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3
InChIKeyACGXDAQUIUCBIT-UHFFFAOYSA-N
MW480.45 g/mol
LogP6.12
Rot. Bonds10

About 5-(4-bromophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylpent-4-en-1-ol

5-(4-bromophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylpent-4-en-1-ol (PubChem CID 176731772) has the molecular formula C27H30BrNO2 and a molecular weight of 480.45 g/mol. Its IUPAC name is 5-(4-bromophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylpent-4-en-1-ol.

Molecular Properties

Compound Name5-(4-bromophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylpent-4-en-1-ol
PubChem CID176731772
Molecular FormulaC27H30BrNO2
Molecular Weight480.45 g/mol
Exact Mass479.15
IUPAC Name5-(4-bromophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylpent-4-en-1-ol
SMILESCN(C)CCOc1ccc(C(=C(CCCO)c2ccccc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C27H30BrNO2/c1-29(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(28)15-11-22)26(9-6-19-30)21-7-4-3-5-8-21/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3
InChIKeyACGXDAQUIUCBIT-UHFFFAOYSA-N
XLogP6.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.45
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-fluorophenyl)-4-phenylpent-4-en-1-ol
CID 176731784
2-[4-[(Z)-4-bromo-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 13424658
2-[4-[(E)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 6536897
2-[4-[1-(3-bromophenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 139774945
N,N-dimethyl-2-[4-[(Z)-12-[methyl(triphenyl)-λ5-phosphanyl]-1,2-diphenyldodec-1-enyl]phenoxy]ethanamine
CID 135293832
[12-[4-[2-(dimethylamino)ethoxy]phenyl]-11,12-diphenyldodec-11-enyl]-triphenylphosphanium;bromide;hydrobromide
CID 171318718
2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine formate
CID 131723672
N-[(Z)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-3-enyl]acetamide
CID 145014258
N,N-dimethyl-2-[4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 3037296
CID 123937819
CID 123937819
[4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] acetate
CID 6263876
3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol
CID 177306952

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylpent-4-en-1-ol?
The IUPAC name of 5-(4-bromophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylpent-4-en-1-ol (CID 176731772) is 5-(4-bromophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylpent-4-en-1-ol.
What is the SMILES notation for 5-(4-bromophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylpent-4-en-1-ol?
The canonical SMILES for 5-(4-bromophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylpent-4-en-1-ol is CN(C)CCOc1ccc(C(=C(CCCO)c2ccccc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylpent-4-en-1-ol?
The InChIKey is ACGXDAQUIUCBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30BrNO2/c1-29(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(28)15-11-22)26(9-6-19-30)21-7-4-3-5-8-21/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3.
What are the key properties of 5-(4-bromophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylpent-4-en-1-ol?
5-(4-bromophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylpent-4-en-1-ol has a molecular weight of 480.45 g/mol, XLogP of 6.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylpent-4-en-1-ol is sourced from PubChem (CID 176731772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).