2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole

C16H15NO2 — CID 53417090

IUPAC2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole
SMILESCOc1cccc(-n2c(C)ccc2-c2ccoc2)c1
InChIInChI=1S/C16H15NO2/c1-12-6-7-16(13-8-9-19-11-13)17(12)14-4-3-5-15(10-14)18-2/h3-11H,1-2H3
InChIKeyJRRXCOUGWMXUCI-UHFFFAOYSA-N
MW253.30 g/mol
LogP4.05
Rot. Bonds3

About 2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole

2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole (PubChem CID 53417090) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole.

Molecular Properties

Compound Name2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole
PubChem CID53417090
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole
SMILESCOc1cccc(-n2c(C)ccc2-c2ccoc2)c1
InChIInChI=1S/C16H15NO2/c1-12-6-7-16(13-8-9-19-11-13)17(12)14-4-3-5-15(10-14)18-2/h3-11H,1-2H3
InChIKeyJRRXCOUGWMXUCI-UHFFFAOYSA-N
XLogP4.05
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 54.05
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

1,2-bis(3-methoxyphenyl)-5-methylpyrrole
CID 91755634
2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole
CID 91755872
1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonitrile
CID 20888478
1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole
CID 22387522
2-[1-(3-methoxyphenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81336440
3-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid
CID 1166306
1-benzyl-2-(furan-3-yl)-5-methoxyindole
CID 141287669
4-(3-methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 3843100
2-(furan-3-yl)-7-methoxychromen-4-one
CID 127033457
CID 172849383
CID 172849383
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole?
The IUPAC name of 2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole (CID 53417090) is 2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole.
What is the SMILES notation for 2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole?
The canonical SMILES for 2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole is COc1cccc(-n2c(C)ccc2-c2ccoc2)c1.
What is the InChIKey of 2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole?
The InChIKey is JRRXCOUGWMXUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12-6-7-16(13-8-9-19-11-13)17(12)14-4-3-5-15(10-14)18-2/h3-11H,1-2H3.
What are the key properties of 2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole?
2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole has a molecular weight of 253.30 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole is sourced from PubChem (CID 53417090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).