2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole

C14H17NO3 — CID 82086470

IUPAC2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole
SMILESCOc1cc(-c2ccc(C)[nH]2)cc(OC)c1OC
InChIInChI=1S/C14H17NO3/c1-9-5-6-11(15-9)10-7-12(16-2)14(18-4)13(8-10)17-3/h5-8,15H,1-4H3
InChIKeyGADPGEONCPTFEV-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.02
Rot. Bonds4

About 2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole

2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole (PubChem CID 82086470) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole
PubChem CID82086470
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole
SMILESCOc1cc(-c2ccc(C)[nH]2)cc(OC)c1OC
InChIInChI=1S/C14H17NO3/c1-9-5-6-11(15-9)10-7-12(16-2)14(18-4)13(8-10)17-3/h5-8,15H,1-4H3
InChIKeyGADPGEONCPTFEV-UHFFFAOYSA-N
XLogP3.02
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 102453349
2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile
CID 57336301
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545
3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline
CID 141243307
5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-carbonitrile
CID 116879942
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049
2-(3-bromo-4-methoxyphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole
CID 141073920
5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 59301205
2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide
CID 86299303
6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 924719
3-methoxy-6-methyl-1H-pyridin-2-one
CID 21221223
2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one
CID 169250098

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole?
The IUPAC name of 2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole (CID 82086470) is 2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole?
The canonical SMILES for 2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole is COc1cc(-c2ccc(C)[nH]2)cc(OC)c1OC.
What is the InChIKey of 2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole?
The InChIKey is GADPGEONCPTFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-5-6-11(15-9)10-7-12(16-2)14(18-4)13(8-10)17-3/h5-8,15H,1-4H3.
What are the key properties of 2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole?
2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole has a molecular weight of 247.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 82086470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).