1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole

C26H25NO3 — CID 174871895

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole
SMILESCOc1ccc(Cn2cccc2-c2ccc(OCc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C26H25NO3/c1-28-24-15-12-22(26(17-24)29-2)18-27-16-6-9-25(27)21-10-13-23(14-11-21)30-19-20-7-4-3-5-8-20/h3-17H,18-19H2,1-2H3
InChIKeyYWESHGUYOMBLJQ-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.80
Rot. Bonds8

About 1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole

1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole (PubChem CID 174871895) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole
PubChem CID174871895
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole
SMILESCOc1ccc(Cn2cccc2-c2ccc(OCc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C26H25NO3/c1-28-24-15-12-22(26(17-24)29-2)18-27-16-6-9-25(27)21-10-13-23(14-11-21)30-19-20-7-4-3-5-8-20/h3-17H,18-19H2,1-2H3
InChIKeyYWESHGUYOMBLJQ-UHFFFAOYSA-N
XLogP5.80
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole
CID 174871893
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
CID 139826525
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine
CID 82708945
[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]azetidin-3-yl]methanediol
CID 91478879
methane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole
CID 159072190
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
(2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid
CID 68757706
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175
CID 123516675
CID 123516675

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole (CID 174871895) is 1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole is COc1ccc(Cn2cccc2-c2ccc(OCc3ccccc3)cc2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole?
The InChIKey is YWESHGUYOMBLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-28-24-15-12-22(26(17-24)29-2)18-27-16-6-9-25(27)21-10-13-23(14-11-21)30-19-20-7-4-3-5-8-20/h3-17H,18-19H2,1-2H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole?
1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole has a molecular weight of 399.49 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole is sourced from PubChem (CID 174871895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).