[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanol

C22H17ClFNO — CID 155514006

IUPAC[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C22H17ClFNO/c23-17-8-11-21-19(12-17)20(22(26)16-4-2-1-3-5-16)14-25(21)13-15-6-9-18(24)10-7-15/h1-12,14,22,26H,13H2
InChIKeyAVKNIBNCWWDXAR-UHFFFAOYSA-N
MW365.84 g/mol
LogP5.56
Rot. Bonds4

About [5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanol

[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanol (PubChem CID 155514006) has the molecular formula C22H17ClFNO and a molecular weight of 365.84 g/mol. Its IUPAC name is [5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanol.

Molecular Properties

Compound Name[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanol
PubChem CID155514006
Molecular FormulaC22H17ClFNO
Molecular Weight365.84 g/mol
Exact Mass365.10
IUPAC Name[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C22H17ClFNO/c23-17-8-11-21-19(12-17)20(22(26)16-4-2-1-3-5-16)14-25(21)13-15-6-9-18(24)10-7-15/h1-12,14,22,26H,13H2
InChIKeyAVKNIBNCWWDXAR-UHFFFAOYSA-N
XLogP5.56
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.84
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-1-((R)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 9927453
1-(3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11324939
1-(1-methyl-1H-indol-3-yl)-2-(1-piperidinyl)ethanol
CID 315014
(1-Benzyl-1h-indol-3-yl)methanol
CID 402633
[1-(2-Chloro-benzyl)-1H-indol-3-yl]-methanol
CID 893119
[1-[(3,4-Dichlorophenyl)methyl]indol-3-yl]methanol
CID 894288
[1-(4-methylbenzyl)-1H-indol-3-yl]methanol
CID 900428
[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]methanol
CID 11088078
(R)-1-((S)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11270069
(S)-1-((R)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11270071
(S)-1-((S)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11381882
(Z)-4-(1-benzyl-5-chloro-indol-3-yl)-2-hydroxy-4-oxo-but-2-enoic acid
CID 11566581

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanol?
The IUPAC name of [5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanol (CID 155514006) is [5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanol.
What is the SMILES notation for [5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanol?
The canonical SMILES for [5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanol is OC(c1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12.
What is the InChIKey of [5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanol?
The InChIKey is AVKNIBNCWWDXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFNO/c23-17-8-11-21-19(12-17)20(22(26)16-4-2-1-3-5-16)14-25(21)13-15-6-9-18(24)10-7-15/h1-12,14,22,26H,13H2.
What are the key properties of [5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanol?
[5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanol has a molecular weight of 365.84 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanol is sourced from PubChem (CID 155514006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).