2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-3H-pyrrole

C16H21NO2 — CID 161242474

IUPAC2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-3H-pyrrole
SMILESCOc1c(C)c(C)c(OC)c(CC2=NC=CC2)c1C
InChIInChI=1S/C16H21NO2/c1-10-11(2)16(19-5)14(12(3)15(10)18-4)9-13-7-6-8-17-13/h6,8H,7,9H2,1-5H3
InChIKeyFPZBRPLCUAVACM-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.53
Rot. Bonds4

About 2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-3H-pyrrole

2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-3H-pyrrole (PubChem CID 161242474) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-3H-pyrrole.

Molecular Properties

Compound Name2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-3H-pyrrole
PubChem CID161242474
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-3H-pyrrole
SMILESCOc1c(C)c(C)c(OC)c(CC2=NC=CC2)c1C
InChIInChI=1S/C16H21NO2/c1-10-11(2)16(19-5)14(12(3)15(10)18-4)9-13-7-6-8-17-13/h6,8H,7,9H2,1-5H3
InChIKeyFPZBRPLCUAVACM-UHFFFAOYSA-N
XLogP3.53
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine
CID 139777100
1-(chloromethyl)-2,5-dimethoxy-3,4,6-trimethylbenzene
CID 10878929
ethane;2-ethyl-3H-pyrrole;propane
CID 171562713
methane;1-methoxy-2,3,4,5,6-pentamethylbenzene
CID 157181904
1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene
CID 139821810
(E)-3-[4-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]phenyl]prop-2-enoic acid
CID 10617123
3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid
CID 22943714
1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene
CID 15837165
1,2,3,4-tetramethoxy-5-[(4-methoxyphenyl)methyl]-6-methylbenzene
CID 142654799
dimethyl 2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]propanedioate
CID 15673909
7-methoxy-2-methyl-6H-1,3-diazonine
CID 163969738
methyl (2S)-4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-hydroxy-2-methylbutanoate
CID 14631362

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-3H-pyrrole?
The IUPAC name of 2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-3H-pyrrole (CID 161242474) is 2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-3H-pyrrole.
What is the SMILES notation for 2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-3H-pyrrole?
The canonical SMILES for 2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-3H-pyrrole is COc1c(C)c(C)c(OC)c(CC2=NC=CC2)c1C.
What is the InChIKey of 2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-3H-pyrrole?
The InChIKey is FPZBRPLCUAVACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-10-11(2)16(19-5)14(12(3)15(10)18-4)9-13-7-6-8-17-13/h6,8H,7,9H2,1-5H3.
What are the key properties of 2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-3H-pyrrole?
2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-3H-pyrrole has a molecular weight of 259.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-3H-pyrrole is sourced from PubChem (CID 161242474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).