2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole

C22H18BrNO — CID 22387400

IUPAC2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole
SMILESCOc1ccc(Cn2c(-c3ccc(Br)cc3)cc3ccccc32)cc1
InChIInChI=1S/C22H18BrNO/c1-25-20-12-6-16(7-13-20)15-24-21-5-3-2-4-18(21)14-22(24)17-8-10-19(23)11-9-17/h2-14H,15H2,1H3
InChIKeyWMYPZHIBXIECNC-UHFFFAOYSA-N
MW392.30 g/mol
LogP6.13
Rot. Bonds4

About 2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole

2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole (PubChem CID 22387400) has the molecular formula C22H18BrNO and a molecular weight of 392.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole
PubChem CID22387400
Molecular FormulaC22H18BrNO
Molecular Weight392.30 g/mol
Exact Mass391.06
IUPAC Name2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole
SMILESCOc1ccc(Cn2c(-c3ccc(Br)cc3)cc3ccccc32)cc1
InChIInChI=1S/C22H18BrNO/c1-25-20-12-6-16(7-13-20)15-24-21-5-3-2-4-18(21)14-22(24)17-8-10-19(23)11-9-17/h2-14H,15H2,1H3
InChIKeyWMYPZHIBXIECNC-UHFFFAOYSA-N
XLogP6.13
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.30
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole?
The IUPAC name of 2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole (CID 22387400) is 2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole.
What is the SMILES notation for 2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole?
The canonical SMILES for 2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole is COc1ccc(Cn2c(-c3ccc(Br)cc3)cc3ccccc32)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole?
The InChIKey is WMYPZHIBXIECNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrNO/c1-25-20-12-6-16(7-13-20)15-24-21-5-3-2-4-18(21)14-22(24)17-8-10-19(23)11-9-17/h2-14H,15H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole?
2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole has a molecular weight of 392.30 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole is sourced from PubChem (CID 22387400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).