4-[(3-methoxyphenyl)methyl]-2-thiophen-3-yl-1H-pyrrole

C16H15NOS — CID 69010761

IUPAC4-[(3-methoxyphenyl)methyl]-2-thiophen-3-yl-1H-pyrrole
SMILESCOc1cccc(Cc2c[nH]c(-c3ccsc3)c2)c1
InChIInChI=1S/C16H15NOS/c1-18-15-4-2-3-12(8-15)7-13-9-16(17-10-13)14-5-6-19-11-14/h2-6,8-11,17H,7H2,1H3
InChIKeyPBLSNDYPYDIECX-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.34
Rot. Bonds4

About 4-[(3-methoxyphenyl)methyl]-2-thiophen-3-yl-1H-pyrrole

4-[(3-methoxyphenyl)methyl]-2-thiophen-3-yl-1H-pyrrole (PubChem CID 69010761) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl]-2-thiophen-3-yl-1H-pyrrole.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl]-2-thiophen-3-yl-1H-pyrrole
PubChem CID69010761
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name4-[(3-methoxyphenyl)methyl]-2-thiophen-3-yl-1H-pyrrole
SMILESCOc1cccc(Cc2c[nH]c(-c3ccsc3)c2)c1
InChIInChI=1S/C16H15NOS/c1-18-15-4-2-3-12(8-15)7-13-9-16(17-10-13)14-5-6-19-11-14/h2-6,8-11,17H,7H2,1H3
InChIKeyPBLSNDYPYDIECX-UHFFFAOYSA-N
XLogP4.34
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl]-2-thiophen-3-yl-1H-pyrrole?
The IUPAC name of 4-[(3-methoxyphenyl)methyl]-2-thiophen-3-yl-1H-pyrrole (CID 69010761) is 4-[(3-methoxyphenyl)methyl]-2-thiophen-3-yl-1H-pyrrole.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl]-2-thiophen-3-yl-1H-pyrrole?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl]-2-thiophen-3-yl-1H-pyrrole is COc1cccc(Cc2c[nH]c(-c3ccsc3)c2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl]-2-thiophen-3-yl-1H-pyrrole?
The InChIKey is PBLSNDYPYDIECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-18-15-4-2-3-12(8-15)7-13-9-16(17-10-13)14-5-6-19-11-14/h2-6,8-11,17H,7H2,1H3.
What are the key properties of 4-[(3-methoxyphenyl)methyl]-2-thiophen-3-yl-1H-pyrrole?
4-[(3-methoxyphenyl)methyl]-2-thiophen-3-yl-1H-pyrrole has a molecular weight of 269.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl]-2-thiophen-3-yl-1H-pyrrole is sourced from PubChem (CID 69010761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).