3,4-bis(3-methoxyphenyl)-1H-pyrrole

C18H17NO2 — CID 12011039

IUPAC3,4-bis(3-methoxyphenyl)-1H-pyrrole
SMILESCOc1cccc(-c2c[nH]cc2-c2cccc(OC)c2)c1
InChIInChI=1S/C18H17NO2/c1-20-15-7-3-5-13(9-15)17-11-19-12-18(17)14-6-4-8-16(10-14)21-2/h3-12,19H,1-2H3
InChIKeyAVLISQGLKLYFOJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.37
Rot. Bonds4

About 3,4-bis(3-methoxyphenyl)-1H-pyrrole

3,4-bis(3-methoxyphenyl)-1H-pyrrole (PubChem CID 12011039) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3,4-bis(3-methoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name3,4-bis(3-methoxyphenyl)-1H-pyrrole
PubChem CID12011039
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3,4-bis(3-methoxyphenyl)-1H-pyrrole
SMILESCOc1cccc(-c2c[nH]cc2-c2cccc(OC)c2)c1
InChIInChI=1S/C18H17NO2/c1-20-15-7-3-5-13(9-15)17-11-19-12-18(17)14-6-4-8-16(10-14)21-2/h3-12,19H,1-2H3
InChIKeyAVLISQGLKLYFOJ-UHFFFAOYSA-N
XLogP4.37
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(3-methoxyphenyl)-1H-pyrrole?
The IUPAC name of 3,4-bis(3-methoxyphenyl)-1H-pyrrole (CID 12011039) is 3,4-bis(3-methoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 3,4-bis(3-methoxyphenyl)-1H-pyrrole?
The canonical SMILES for 3,4-bis(3-methoxyphenyl)-1H-pyrrole is COc1cccc(-c2c[nH]cc2-c2cccc(OC)c2)c1.
What is the InChIKey of 3,4-bis(3-methoxyphenyl)-1H-pyrrole?
The InChIKey is AVLISQGLKLYFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-20-15-7-3-5-13(9-15)17-11-19-12-18(17)14-6-4-8-16(10-14)21-2/h3-12,19H,1-2H3.
What are the key properties of 3,4-bis(3-methoxyphenyl)-1H-pyrrole?
3,4-bis(3-methoxyphenyl)-1H-pyrrole has a molecular weight of 279.34 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(3-methoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 12011039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).