2-[(4-methoxy-3,5-dimethylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

C18H20N2O — CID 171371856

IUPAC2-[(4-methoxy-3,5-dimethylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESCOc1c(C)cc(C(c2ccc[nH]2)c2ccc[nH]2)cc1C
InChIInChI=1S/C18H20N2O/c1-12-10-14(11-13(2)18(12)21-3)17(15-6-4-8-19-15)16-7-5-9-20-16/h4-11,17,19-20H,1-3H3
InChIKeyGRQLWBLCKWZOGT-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.15
Rot. Bonds4

About 2-[(4-methoxy-3,5-dimethylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

2-[(4-methoxy-3,5-dimethylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (PubChem CID 171371856) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
PubChem CID171371856
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[(4-methoxy-3,5-dimethylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESCOc1c(C)cc(C(c2ccc[nH]2)c2ccc[nH]2)cc1C
InChIInChI=1S/C18H20N2O/c1-12-10-14(11-13(2)18(12)21-3)17(15-6-4-8-19-15)16-7-5-9-20-16/h4-11,17,19-20H,1-3H3
InChIKeyGRQLWBLCKWZOGT-UHFFFAOYSA-N
XLogP4.15
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole
CID 101493519
[4-[(4-methoxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl]methanol
CID 158830196
3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine
CID 171371811
2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 102416621
1-(2-iodophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83057061
2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole
CID 102500839
2-[[4-[4-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]butoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 132500856
5-[4,4-bis(4-methoxy-3,5-dimethylphenyl)butan-2-yl]-2-methoxy-1,3-dimethylbenzene
CID 22900375
2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178
2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371938
2-[(2-bromo-5-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371977
5-[bromo(cyclopropyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83068810

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[(4-methoxy-3,5-dimethylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (CID 171371856) is 2-[(4-methoxy-3,5-dimethylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is COc1c(C)cc(C(c2ccc[nH]2)c2ccc[nH]2)cc1C.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The InChIKey is GRQLWBLCKWZOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-10-14(11-13(2)18(12)21-3)17(15-6-4-8-19-15)16-7-5-9-20-16/h4-11,17,19-20H,1-3H3.
What are the key properties of 2-[(4-methoxy-3,5-dimethylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
2-[(4-methoxy-3,5-dimethylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole has a molecular weight of 280.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 171371856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).