3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole

C24H20ClNO — CID 102573293

IUPAC3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole
SMILESCOc1ccc(/C(=C\c2ccc(Cl)cc2)c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H20ClNO/c1-16-24(21-5-3-4-6-23(21)26-16)22(15-17-7-11-19(25)12-8-17)18-9-13-20(27-2)14-10-18/h3-15,26H,1-2H3/b22-15+
InChIKeySIIMGWFEMDNXGM-PXLXIMEGSA-N
MW373.88 g/mol
LogP6.73
Rot. Bonds4

About 3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole

3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole (PubChem CID 102573293) has the molecular formula C24H20ClNO and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole
PubChem CID102573293
Molecular FormulaC24H20ClNO
Molecular Weight373.88 g/mol
Exact Mass373.12
IUPAC Name3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole
SMILESCOc1ccc(/C(=C\c2ccc(Cl)cc2)c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H20ClNO/c1-16-24(21-5-3-4-6-23(21)26-16)22(15-17-7-11-19(25)12-8-17)18-9-13-20(27-2)14-10-18/h3-15,26H,1-2H3/b22-15+
InChIKeySIIMGWFEMDNXGM-PXLXIMEGSA-N
XLogP6.73
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.88
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole
CID 102573297
3-[(Z)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole
CID 11394220
4-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-9H-carbazole
CID 42639545
N-[1-(4-chlorophenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 5124363
[4-[2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 3370595
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole
CID 71517931
3-bromo-2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1H-indole
CID 25228636
2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole
CID 10596987
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene
CID 66556000
4,4-bis(2-methyl-1H-indol-3-yl)but-3-en-2-one
CID 134840474
(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 15104433

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole?
The IUPAC name of 3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole (CID 102573293) is 3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole is COc1ccc(/C(=C\c2ccc(Cl)cc2)c2c(C)[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole?
The InChIKey is SIIMGWFEMDNXGM-PXLXIMEGSA-N. The full InChI is InChI=1S/C24H20ClNO/c1-16-24(21-5-3-4-6-23(21)26-16)22(15-17-7-11-19(25)12-8-17)18-9-13-20(27-2)14-10-18/h3-15,26H,1-2H3/b22-15+.
What are the key properties of 3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole?
3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole has a molecular weight of 373.88 g/mol, XLogP of 6.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole is sourced from PubChem (CID 102573293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).