3,4-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole

C26H25NO3 — CID 134686899

IUPAC3,4-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole
SMILESCOc1ccc(Cn2cc(-c3ccccc3OC)c(-c3ccccc3OC)c2)cc1
InChIInChI=1S/C26H25NO3/c1-28-20-14-12-19(13-15-20)16-27-17-23(21-8-4-6-10-25(21)29-2)24(18-27)22-9-5-7-11-26(22)30-3/h4-15,17-18H,16H2,1-3H3
InChIKeyVPPZGEMAMWVONP-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.90
Rot. Bonds7

About 3,4-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole

3,4-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole (PubChem CID 134686899) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3,4-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole.

Molecular Properties

Compound Name3,4-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole
PubChem CID134686899
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name3,4-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole
SMILESCOc1ccc(Cn2cc(-c3ccccc3OC)c(-c3ccccc3OC)c2)cc1
InChIInChI=1S/C26H25NO3/c1-28-20-14-12-19(13-15-20)16-27-17-23(21-8-4-6-10-25(21)29-2)24(18-27)22-9-5-7-11-26(22)30-3/h4-15,17-18H,16H2,1-3H3
InChIKeyVPPZGEMAMWVONP-UHFFFAOYSA-N
XLogP5.90
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Methoxy-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480238
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CID 25033656
3-(Methoxymethyl)-5-(6-methoxynaphthalen-2-yl)pyridine
CID 25034491
4-[2-(4-Methoxy-1-naphthyl)vinyl]pyridine
CID 764198
1-benzyl-3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 53317861
3-{[2-(2-Phenylethyl)phenoxy]methyl}pyridine
CID 11973810
4-[[2-(2-Phenylethyl)phenoxy]methyl]pyridine
CID 24808152
4-[2-(4-Benzylphenoxy)ethyl]pyridine
CID 44818625
4-[1-(4''-Methoxybiphenyl-4-yl)propyl]pyridine
CID 46901440
(Z)-3-(4-methoxyphenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
CID 12717118
4-((2-(3-Methoxyphenethyl)phenoxy)methyl)pyridine
CID 24805442
2-(1-(4-methoxybenzyl)-1H-indol-3-yl)-N,N-dimethylethanamine
CID 44438728

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole?
The IUPAC name of 3,4-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole (CID 134686899) is 3,4-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole.
What is the SMILES notation for 3,4-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole?
The canonical SMILES for 3,4-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole is COc1ccc(Cn2cc(-c3ccccc3OC)c(-c3ccccc3OC)c2)cc1.
What is the InChIKey of 3,4-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole?
The InChIKey is VPPZGEMAMWVONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-28-20-14-12-19(13-15-20)16-27-17-23(21-8-4-6-10-25(21)29-2)24(18-27)22-9-5-7-11-26(22)30-3/h4-15,17-18H,16H2,1-3H3.
What are the key properties of 3,4-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole?
3,4-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole has a molecular weight of 399.49 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole is sourced from PubChem (CID 134686899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).