1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole

C24H20ClNO — CID 141148615

IUPAC1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole
SMILESClc1ccc(Cn2ccc(-c3ccc(OCc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C24H20ClNO/c25-23-10-6-19(7-11-23)16-26-15-14-22(17-26)21-8-12-24(13-9-21)27-18-20-4-2-1-3-5-20/h1-15,17H,16,18H2
InChIKeyRPHIDRWEPXAQAY-UHFFFAOYSA-N
MW373.88 g/mol
LogP6.44
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole

1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole (PubChem CID 141148615) has the molecular formula C24H20ClNO and a molecular weight of 373.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole
PubChem CID141148615
Molecular FormulaC24H20ClNO
Molecular Weight373.88 g/mol
Exact Mass373.12
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole
SMILESClc1ccc(Cn2ccc(-c3ccc(OCc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C24H20ClNO/c25-23-10-6-19(7-11-23)16-26-15-14-22(17-26)21-8-12-24(13-9-21)27-18-20-4-2-1-3-5-20/h1-15,17H,16,18H2
InChIKeyRPHIDRWEPXAQAY-UHFFFAOYSA-N
XLogP6.44
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.88
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole (CID 141148615) is 1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole is Clc1ccc(Cn2ccc(-c3ccc(OCc4ccccc4)cc3)c2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole?
The InChIKey is RPHIDRWEPXAQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO/c25-23-10-6-19(7-11-23)16-26-15-14-22(17-26)21-8-12-24(13-9-21)27-18-20-4-2-1-3-5-20/h1-15,17H,16,18H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole?
1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole has a molecular weight of 373.88 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole is sourced from PubChem (CID 141148615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).