3-[methoxy(thiophen-2-yl)methyl]-1H-indole

C14H13NOS — CID 611469

IUPAC3-[methoxy(thiophen-2-yl)methyl]-1H-indole
SMILESCOC(c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H13NOS/c1-16-14(13-7-4-8-17-13)11-9-15-12-6-3-2-5-10(11)12/h2-9,14-15H,1H3
InChIKeyMHSGMWJKCNERBP-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.97
Rot. Bonds3

About 3-[methoxy(thiophen-2-yl)methyl]-1H-indole

3-[methoxy(thiophen-2-yl)methyl]-1H-indole (PubChem CID 611469) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-[methoxy(thiophen-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[methoxy(thiophen-2-yl)methyl]-1H-indole
PubChem CID611469
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name3-[methoxy(thiophen-2-yl)methyl]-1H-indole
SMILESCOC(c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H13NOS/c1-16-14(13-7-4-8-17-13)11-9-15-12-6-3-2-5-10(11)12/h2-9,14-15H,1H3
InChIKeyMHSGMWJKCNERBP-UHFFFAOYSA-N
XLogP3.97
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(thiophen-2-yl)methyl]-1H-indole?
The IUPAC name of 3-[methoxy(thiophen-2-yl)methyl]-1H-indole (CID 611469) is 3-[methoxy(thiophen-2-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[methoxy(thiophen-2-yl)methyl]-1H-indole?
The canonical SMILES for 3-[methoxy(thiophen-2-yl)methyl]-1H-indole is COC(c1cccs1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[methoxy(thiophen-2-yl)methyl]-1H-indole?
The InChIKey is MHSGMWJKCNERBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-16-14(13-7-4-8-17-13)11-9-15-12-6-3-2-5-10(11)12/h2-9,14-15H,1H3.
What are the key properties of 3-[methoxy(thiophen-2-yl)methyl]-1H-indole?
3-[methoxy(thiophen-2-yl)methyl]-1H-indole has a molecular weight of 243.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(thiophen-2-yl)methyl]-1H-indole is sourced from PubChem (CID 611469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).