2-(2-chloro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1-methylpyrrole

C26H24ClNO3 — CID 71513763

IUPAC2-(2-chloro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1-methylpyrrole
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)n(C)c2-c2ccc(OC)cc2Cl)cc1
InChIInChI=1S/C26H24ClNO3/c1-28-25(18-7-11-20(30-3)12-8-18)16-23(17-5-9-19(29-2)10-6-17)26(28)22-14-13-21(31-4)15-24(22)27/h5-16H,1-4H3
InChIKeyCJCLFFKVYQPKNB-UHFFFAOYSA-N
MW433.94 g/mol
LogP6.71
Rot. Bonds6

About 2-(2-chloro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1-methylpyrrole

2-(2-chloro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1-methylpyrrole (PubChem CID 71513763) has the molecular formula C26H24ClNO3 and a molecular weight of 433.94 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1-methylpyrrole.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1-methylpyrrole
PubChem CID71513763
Molecular FormulaC26H24ClNO3
Molecular Weight433.94 g/mol
Exact Mass433.14
IUPAC Name2-(2-chloro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1-methylpyrrole
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)n(C)c2-c2ccc(OC)cc2Cl)cc1
InChIInChI=1S/C26H24ClNO3/c1-28-25(18-7-11-20(30-3)12-8-18)16-23(17-5-9-19(29-2)10-6-17)26(28)22-14-13-21(31-4)15-24(22)27/h5-16H,1-4H3
InChIKeyCJCLFFKVYQPKNB-UHFFFAOYSA-N
XLogP6.71
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1-methylpyrrole?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1-methylpyrrole (CID 71513763) is 2-(2-chloro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1-methylpyrrole.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1-methylpyrrole?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1-methylpyrrole is COc1ccc(-c2cc(-c3ccc(OC)cc3)n(C)c2-c2ccc(OC)cc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1-methylpyrrole?
The InChIKey is CJCLFFKVYQPKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO3/c1-28-25(18-7-11-20(30-3)12-8-18)16-23(17-5-9-19(29-2)10-6-17)26(28)22-14-13-21(31-4)15-24(22)27/h5-16H,1-4H3.
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1-methylpyrrole?
2-(2-chloro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1-methylpyrrole has a molecular weight of 433.94 g/mol, XLogP of 6.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1-methylpyrrole is sourced from PubChem (CID 71513763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).