2-[4-[[2-(2-chlorophenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol

C24H21ClFNO — CID 161108593

IUPAC2-[4-[[2-(2-chlorophenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol
SMILESCc1ccc2c(c1)c(F)c(-c1ccccc1Cl)n2Cc1ccc(CCO)cc1
InChIInChI=1S/C24H21ClFNO/c1-16-6-11-22-20(14-16)23(26)24(19-4-2-3-5-21(19)25)27(22)15-18-9-7-17(8-10-18)12-13-28/h2-11,14,28H,12-13,15H2,1H3
InChIKeyXMFDYQSMWJQLJJ-UHFFFAOYSA-N
MW393.89 g/mol
LogP5.99
Rot. Bonds5

About 2-[4-[[2-(2-chlorophenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol

2-[4-[[2-(2-chlorophenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol (PubChem CID 161108593) has the molecular formula C24H21ClFNO and a molecular weight of 393.89 g/mol. Its IUPAC name is 2-[4-[[2-(2-chlorophenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(2-chlorophenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol
PubChem CID161108593
Molecular FormulaC24H21ClFNO
Molecular Weight393.89 g/mol
Exact Mass393.13
IUPAC Name2-[4-[[2-(2-chlorophenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol
SMILESCc1ccc2c(c1)c(F)c(-c1ccccc1Cl)n2Cc1ccc(CCO)cc1
InChIInChI=1S/C24H21ClFNO/c1-16-6-11-22-20(14-16)23(26)24(19-4-2-3-5-21(19)25)27(22)15-18-9-7-17(8-10-18)12-13-28/h2-11,14,28H,12-13,15H2,1H3
InChIKeyXMFDYQSMWJQLJJ-UHFFFAOYSA-N
XLogP5.99
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.89
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-chlorophenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-(2-chlorophenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol (CID 161108593) is 2-[4-[[2-(2-chlorophenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-(2-chlorophenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-(2-chlorophenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol is Cc1ccc2c(c1)c(F)c(-c1ccccc1Cl)n2Cc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[[2-(2-chlorophenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol?
The InChIKey is XMFDYQSMWJQLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFNO/c1-16-6-11-22-20(14-16)23(26)24(19-4-2-3-5-21(19)25)27(22)15-18-9-7-17(8-10-18)12-13-28/h2-11,14,28H,12-13,15H2,1H3.
What are the key properties of 2-[4-[[2-(2-chlorophenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol?
2-[4-[[2-(2-chlorophenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol has a molecular weight of 393.89 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-chlorophenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol is sourced from PubChem (CID 161108593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).