5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole

C31H31NO — CID 123366328

IUPAC5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole
SMILESC=C(c1cccc(Cc2ccc(OC)cc2)c1)C1C=C1CCc1c[nH]c2ccc(CC)cc12
InChIInChI=1S/C31H31NO/c1-4-22-10-15-31-30(18-22)27(20-32-31)12-11-26-19-29(26)21(2)25-7-5-6-24(17-25)16-23-8-13-28(33-3)14-9-23/h5-10,13-15,17-20,29,32H,2,4,11-12,16H2,1,3H3
InChIKeyNGLWHORQXQACAI-UHFFFAOYSA-N
MW433.60 g/mol
LogP7.53
Rot. Bonds9

About 5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole

5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole (PubChem CID 123366328) has the molecular formula C31H31NO and a molecular weight of 433.60 g/mol. Its IUPAC name is 5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole.

Molecular Properties

Compound Name5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole
PubChem CID123366328
Molecular FormulaC31H31NO
Molecular Weight433.60 g/mol
Exact Mass433.24
IUPAC Name5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole
SMILESC=C(c1cccc(Cc2ccc(OC)cc2)c1)C1C=C1CCc1c[nH]c2ccc(CC)cc12
InChIInChI=1S/C31H31NO/c1-4-22-10-15-31-30(18-22)27(20-32-31)12-11-26-19-29(26)21(2)25-7-5-6-24(17-25)16-23-8-13-28(33-3)14-9-23/h5-10,13-15,17-20,29,32H,2,4,11-12,16H2,1,3H3
InChIKeyNGLWHORQXQACAI-UHFFFAOYSA-N
XLogP7.53
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole with MolForge

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Related Compounds

3-(2-ethoxyethyl)-5-methoxy-1H-indole
CID 167475271
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-4-hydroxy-3-[2-(4-methoxyphenyl)ethyl]-1H-imidazol-2-one
CID 54194466
N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-[3-(2-fluorophenyl)phenyl]ethanimine
CID 123794883
3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177
1-(5-ethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490825
N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine
CID 175502813
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 53274281
N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-(3-pyridin-4-ylphenyl)ethanimine
CID 123263622
2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid
CID 14181017
3-[3-[N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]phenyl]benzonitrile
CID 123972225
2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 21071638
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine
CID 25219438

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole?
The IUPAC name of 5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole (CID 123366328) is 5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole.
What is the SMILES notation for 5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole?
The canonical SMILES for 5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole is C=C(c1cccc(Cc2ccc(OC)cc2)c1)C1C=C1CCc1c[nH]c2ccc(CC)cc12.
What is the InChIKey of 5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole?
The InChIKey is NGLWHORQXQACAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO/c1-4-22-10-15-31-30(18-22)27(20-32-31)12-11-26-19-29(26)21(2)25-7-5-6-24(17-25)16-23-8-13-28(33-3)14-9-23/h5-10,13-15,17-20,29,32H,2,4,11-12,16H2,1,3H3.
What are the key properties of 5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole?
5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole has a molecular weight of 433.60 g/mol, XLogP of 7.53, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole is sourced from PubChem (CID 123366328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).