1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole

C15H14BrNOS — CID 116624048

IUPAC1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole
SMILESCCOc1ccc2c(ccn2Cc2sccc2Br)c1
InChIInChI=1S/C15H14BrNOS/c1-2-18-12-3-4-14-11(9-12)5-7-17(14)10-15-13(16)6-8-19-15/h3-9H,2,10H2,1H3
InChIKeyWMPVHJHAZSBGDU-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.91
Rot. Bonds4

About 1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole

1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole (PubChem CID 116624048) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole
PubChem CID116624048
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole
SMILESCCOc1ccc2c(ccn2Cc2sccc2Br)c1
InChIInChI=1S/C15H14BrNOS/c1-2-18-12-3-4-14-11(9-12)5-7-17(14)10-15-13(16)6-8-19-15/h3-9H,2,10H2,1H3
InChIKeyWMPVHJHAZSBGDU-UHFFFAOYSA-N
XLogP4.91
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole
CID 116623901
5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole
CID 116624074
5-ethoxy-1-(3-methylbutyl)indole
CID 110830943
5-propoxy-1-(thiophen-2-ylmethyl)indole
CID 116625667
3-bromo-2-[(3-ethoxyphenoxy)methyl]thiophene
CID 55060850
4-(5-ethoxyindol-1-yl)butan-2-ol
CID 116624097
3-(5-ethoxyindol-1-yl)propanal
CID 80643533
1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole
CID 110830948
1-[(3-bromothiophen-2-yl)methyl]-6-nitroindole
CID 116621070
(Z)-4-(5-ethoxyindol-1-yl)-2-methylbut-2-enoic acid
CID 80643016
5-ethoxy-1-(3-ethylsulfonylpropyl)indole
CID 116623921
4-(5-ethoxyindol-1-yl)butanenitrile
CID 110830965

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole (CID 116624048) is 1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole is CCOc1ccc2c(ccn2Cc2sccc2Br)c1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole?
The InChIKey is WMPVHJHAZSBGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c1-2-18-12-3-4-14-11(9-12)5-7-17(14)10-15-13(16)6-8-19-15/h3-9H,2,10H2,1H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole?
1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole has a molecular weight of 336.25 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole is sourced from PubChem (CID 116624048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).