2-fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol

C23H20FNO — CID 70986827

IUPAC2-fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol
SMILESCc1cn(-c2ccc(O)c(F)c2)c2cccc(CCc3ccccc3)c12
InChIInChI=1S/C23H20FNO/c1-16-15-25(19-12-13-22(26)20(24)14-19)21-9-5-8-18(23(16)21)11-10-17-6-3-2-4-7-17/h2-9,12-15,26H,10-11H2,1H3
InChIKeyGYHXHJWIDUAJBS-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.57
Rot. Bonds4

About 2-fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol

2-fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol (PubChem CID 70986827) has the molecular formula C23H20FNO and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol
PubChem CID70986827
Molecular FormulaC23H20FNO
Molecular Weight345.42 g/mol
Exact Mass345.15
IUPAC Name2-fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol
SMILESCc1cn(-c2ccc(O)c(F)c2)c2cccc(CCc3ccccc3)c12
InChIInChI=1S/C23H20FNO/c1-16-15-25(19-12-13-22(26)20(24)14-19)21-9-5-8-18(23(16)21)11-10-17-6-3-2-4-7-17/h2-9,12-15,26H,10-11H2,1H3
InChIKeyGYHXHJWIDUAJBS-UHFFFAOYSA-N
XLogP5.57
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol?
The IUPAC name of 2-fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol (CID 70986827) is 2-fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol?
The canonical SMILES for 2-fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol is Cc1cn(-c2ccc(O)c(F)c2)c2cccc(CCc3ccccc3)c12.
What is the InChIKey of 2-fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol?
The InChIKey is GYHXHJWIDUAJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO/c1-16-15-25(19-12-13-22(26)20(24)14-19)21-9-5-8-18(23(16)21)11-10-17-6-3-2-4-7-17/h2-9,12-15,26H,10-11H2,1H3.
What are the key properties of 2-fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol?
2-fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol has a molecular weight of 345.42 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol is sourced from PubChem (CID 70986827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).