2-(4-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole

C24H23OP — CID 164677728

IUPAC2-(4-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole
SMILESCOc1ccc(-c2[pH]c3ccccc3c2-c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C24H23OP/c1-15-13-16(2)22(17(3)14-15)23-20-7-5-6-8-21(20)26-24(23)18-9-11-19(25-4)12-10-18/h5-14,26H,1-4H3
InChIKeyDUVWTOSEIRNOCL-UHFFFAOYSA-N
MW358.42 g/mol
LogP7.14
Rot. Bonds3

About 2-(4-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole

2-(4-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole (PubChem CID 164677728) has the molecular formula C24H23OP and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole
PubChem CID164677728
Molecular FormulaC24H23OP
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC Name2-(4-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole
SMILESCOc1ccc(-c2[pH]c3ccccc3c2-c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C24H23OP/c1-15-13-16(2)22(17(3)14-15)23-20-7-5-6-8-21(20)26-24(23)18-9-11-19(25-4)12-10-18/h5-14,26H,1-4H3
InChIKeyDUVWTOSEIRNOCL-UHFFFAOYSA-N
XLogP7.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole?
The IUPAC name of 2-(4-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole (CID 164677728) is 2-(4-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole is COc1ccc(-c2[pH]c3ccccc3c2-c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole?
The InChIKey is DUVWTOSEIRNOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23OP/c1-15-13-16(2)22(17(3)14-15)23-20-7-5-6-8-21(20)26-24(23)18-9-11-19(25-4)12-10-18/h5-14,26H,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole?
2-(4-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole has a molecular weight of 358.42 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole is sourced from PubChem (CID 164677728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).