[1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol

C23H17ClF3NO — CID 140928472

IUPAC[1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol
SMILESOCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1Cl
InChIInChI=1S/C23H17ClF3NO/c24-19-9-5-4-8-16(19)13-28-20-11-10-17(23(25,26)27)12-18(20)22(21(28)14-29)15-6-2-1-3-7-15/h1-12,29H,13-14H2
InChIKeyJYKZGLCARMLOPP-UHFFFAOYSA-N
MW415.84 g/mol
LogP6.52
Rot. Bonds4

About [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol

[1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol (PubChem CID 140928472) has the molecular formula C23H17ClF3NO and a molecular weight of 415.84 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol
PubChem CID140928472
Molecular FormulaC23H17ClF3NO
Molecular Weight415.84 g/mol
Exact Mass415.10
IUPAC Name[1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol
SMILESOCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1Cl
InChIInChI=1S/C23H17ClF3NO/c24-19-9-5-4-8-16(19)13-28-20-11-10-17(23(25,26)27)12-18(20)22(21(28)14-29)15-6-2-1-3-7-15/h1-12,29H,13-14H2
InChIKeyJYKZGLCARMLOPP-UHFFFAOYSA-N
XLogP6.52
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.84
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol 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

[1-[(2-chlorophenyl)methyl]-3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5-(trifluoromethyl)indol-2-yl]methanol
CID 118971362
[1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol
CID 118967097
[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967091
5-tert-butyl-2-ethyl-1-[(2-methylphenyl)methyl]-3-phenylindole
CID 129056104
1-methyl-3-phenyl-5-(trifluoromethyl)indole-2-carbonyl chloride chloride
CID 157145690
[1-[(2-chlorophenyl)methyl]-3-(2-methylsulfanylpyrimidin-5-yl)-6-propan-2-yloxyindol-2-yl]methanol
CID 118967144
[1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol
CID 161335033
2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid
CID 67856609
2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfanylindol-2-yl]-2-methylpropanoic acid
CID 67856668
3-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126294075
3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 121027084
2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride
CID 71432641

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol (CID 140928472) is [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol is OCc1c(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1Cl.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol?
The InChIKey is JYKZGLCARMLOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3NO/c24-19-9-5-4-8-16(19)13-28-20-11-10-17(23(25,26)27)12-18(20)22(21(28)14-29)15-6-2-1-3-7-15/h1-12,29H,13-14H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol?
[1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol has a molecular weight of 415.84 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol is sourced from PubChem (CID 140928472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).