ethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate

C20H18BrNO2 — CID 132577846

IUPACethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate
SMILESCCOC(=O)Cc1c(/C=C/c2ccc(Br)cc2)[nH]c2ccccc12
InChIInChI=1S/C20H18BrNO2/c1-2-24-20(23)13-17-16-5-3-4-6-18(16)22-19(17)12-9-14-7-10-15(21)11-8-14/h3-12,22H,2,13H2,1H3/b12-9+
InChIKeyZTIXRHKYCWTXDV-FMIVXFBMSA-N
MW384.27 g/mol
LogP5.21
Rot. Bonds5

About ethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate

ethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate (PubChem CID 132577846) has the molecular formula C20H18BrNO2 and a molecular weight of 384.27 g/mol. Its IUPAC name is ethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate
PubChem CID132577846
Molecular FormulaC20H18BrNO2
Molecular Weight384.27 g/mol
Exact Mass383.05
IUPAC Nameethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate
SMILESCCOC(=O)Cc1c(/C=C/c2ccc(Br)cc2)[nH]c2ccccc12
InChIInChI=1S/C20H18BrNO2/c1-2-24-20(23)13-17-16-5-3-4-6-18(16)22-19(17)12-9-14-7-10-15(21)11-8-14/h3-12,22H,2,13H2,1H3/b12-9+
InChIKeyZTIXRHKYCWTXDV-FMIVXFBMSA-N
XLogP5.21
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2-formyl-1H-indol-3-yl)acetate
CID 82390658
ethyl 2-[2-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-indol-3-yl]acetate
CID 132577848
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
ethyl 2-(3-ethyl-1H-indol-2-yl)acetate
CID 15424486
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031
ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate
CID 138373891
methyl 2-(2-bromo-1H-indol-3-yl)acetate
CID 27281283
ethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate
CID 154302994
ethyl 5-(4-bromophenyl)-3-oxopent-4-enoate
CID 54174182
ethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate
CID 46867743
ethyl (2S)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoate
CID 15343755

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate?
The IUPAC name of ethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate (CID 132577846) is ethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate is CCOC(=O)Cc1c(/C=C/c2ccc(Br)cc2)[nH]c2ccccc12.
What is the InChIKey of ethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate?
The InChIKey is ZTIXRHKYCWTXDV-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H18BrNO2/c1-2-24-20(23)13-17-16-5-3-4-6-18(16)22-19(17)12-9-14-7-10-15(21)11-8-14/h3-12,22H,2,13H2,1H3/b12-9+.
What are the key properties of ethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate?
ethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate has a molecular weight of 384.27 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate is sourced from PubChem (CID 132577846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).