2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol

C23H20FNO — CID 155579659

IUPAC2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol
SMILESCc1ccc(Cn2c(-c3ccc(F)cc3)c(C)c3cc(O)ccc32)cc1
InChIInChI=1S/C23H20FNO/c1-15-3-5-17(6-4-15)14-25-22-12-11-20(26)13-21(22)16(2)23(25)18-7-9-19(24)10-8-18/h3-13,26H,14H2,1-2H3
InChIKeyIVNDPEZRMLDJRJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.82
Rot. Bonds3

About 2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol

2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol (PubChem CID 155579659) has the molecular formula C23H20FNO and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol
PubChem CID155579659
Molecular FormulaC23H20FNO
Molecular Weight345.42 g/mol
Exact Mass345.15
IUPAC Name2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol
SMILESCc1ccc(Cn2c(-c3ccc(F)cc3)c(C)c3cc(O)ccc32)cc1
InChIInChI=1S/C23H20FNO/c1-15-3-5-17(6-4-15)14-25-22-12-11-20(26)13-21(22)16(2)23(25)18-7-9-19(24)10-8-18/h3-13,26H,14H2,1-2H3
InChIKeyIVNDPEZRMLDJRJ-UHFFFAOYSA-N
XLogP5.82
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol?
The IUPAC name of 2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol (CID 155579659) is 2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol?
The canonical SMILES for 2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol is Cc1ccc(Cn2c(-c3ccc(F)cc3)c(C)c3cc(O)ccc32)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol?
The InChIKey is IVNDPEZRMLDJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO/c1-15-3-5-17(6-4-15)14-25-22-12-11-20(26)13-21(22)16(2)23(25)18-7-9-19(24)10-8-18/h3-13,26H,14H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol?
2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol has a molecular weight of 345.42 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol is sourced from PubChem (CID 155579659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).