1,2-bis(3-methoxyphenyl)-5-methylpyrrole

C19H19NO2 — CID 91755634

IUPAC1,2-bis(3-methoxyphenyl)-5-methylpyrrole
SMILESCOc1cccc(-c2ccc(C)n2-c2cccc(OC)c2)c1
InChIInChI=1S/C19H19NO2/c1-14-10-11-19(15-6-4-8-17(12-15)21-2)20(14)16-7-5-9-18(13-16)22-3/h4-13H,1-3H3
InChIKeyIHQNGCPLLXCTJW-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.47
Rot. Bonds4

About 1,2-bis(3-methoxyphenyl)-5-methylpyrrole

1,2-bis(3-methoxyphenyl)-5-methylpyrrole (PubChem CID 91755634) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1,2-bis(3-methoxyphenyl)-5-methylpyrrole.

Molecular Properties

Compound Name1,2-bis(3-methoxyphenyl)-5-methylpyrrole
PubChem CID91755634
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1,2-bis(3-methoxyphenyl)-5-methylpyrrole
SMILESCOc1cccc(-c2ccc(C)n2-c2cccc(OC)c2)c1
InChIInChI=1S/C19H19NO2/c1-14-10-11-19(15-6-4-8-17(12-15)21-2)20(14)16-7-5-9-18(13-16)22-3/h4-13H,1-3H3
InChIKeyIHQNGCPLLXCTJW-UHFFFAOYSA-N
XLogP4.47
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole
CID 53417090
2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole
CID 91755872
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
5-(3-methoxyphenyl)-1-phenylpyrazole
CID 44632701
5-(3-methoxyphenyl)-1,3-dimethylpyrazole
CID 57246578
(E)-N-[2-(3-methoxyphenyl)-5-methylpyrrol-1-yl]-1-(4-nitrophenyl)methanimine
CID 89181412
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonitrile
CID 20888478
1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole
CID 22387522
ethyl 3-(2-methyl-5-phenylpyrrol-1-yl)benzoate
CID 4763682
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-methoxyphenyl)-5-methylpyrrole?
The IUPAC name of 1,2-bis(3-methoxyphenyl)-5-methylpyrrole (CID 91755634) is 1,2-bis(3-methoxyphenyl)-5-methylpyrrole.
What is the SMILES notation for 1,2-bis(3-methoxyphenyl)-5-methylpyrrole?
The canonical SMILES for 1,2-bis(3-methoxyphenyl)-5-methylpyrrole is COc1cccc(-c2ccc(C)n2-c2cccc(OC)c2)c1.
What is the InChIKey of 1,2-bis(3-methoxyphenyl)-5-methylpyrrole?
The InChIKey is IHQNGCPLLXCTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14-10-11-19(15-6-4-8-17(12-15)21-2)20(14)16-7-5-9-18(13-16)22-3/h4-13H,1-3H3.
What are the key properties of 1,2-bis(3-methoxyphenyl)-5-methylpyrrole?
1,2-bis(3-methoxyphenyl)-5-methylpyrrole has a molecular weight of 293.37 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-methoxyphenyl)-5-methylpyrrole is sourced from PubChem (CID 91755634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).