2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol

C32H30FNO2 — CID 155265382

IUPAC2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol
SMILESCc1cccc(C)c1-c1c(F)c2cc(OCc3ccccc3)ccc2n1Cc1ccc(CCO)cc1
InChIInChI=1S/C32H30FNO2/c1-22-7-6-8-23(2)30(22)32-31(33)28-19-27(36-21-26-9-4-3-5-10-26)15-16-29(28)34(32)20-25-13-11-24(12-14-25)17-18-35/h3-16,19,35H,17-18,20-21H2,1-2H3
InChIKeyJJZJLSXCVHKVKW-UHFFFAOYSA-N
MW479.60 g/mol
LogP7.23
Rot. Bonds8

About 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol

2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol (PubChem CID 155265382) has the molecular formula C32H30FNO2 and a molecular weight of 479.60 g/mol. Its IUPAC name is 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol
PubChem CID155265382
Molecular FormulaC32H30FNO2
Molecular Weight479.60 g/mol
Exact Mass479.23
IUPAC Name2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol
SMILESCc1cccc(C)c1-c1c(F)c2cc(OCc3ccccc3)ccc2n1Cc1ccc(CCO)cc1
InChIInChI=1S/C32H30FNO2/c1-22-7-6-8-23(2)30(22)32-31(33)28-19-27(36-21-26-9-4-3-5-10-26)15-16-29(28)34(32)20-25-13-11-24(12-14-25)17-18-35/h3-16,19,35H,17-18,20-21H2,1-2H3
InChIKeyJJZJLSXCVHKVKW-UHFFFAOYSA-N
XLogP7.23
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.60
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol
CID 174246583
2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine
CID 155265344
2-[2-[4-[[3-fluoro-2-(2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethyl]isoindole-1,3-dione
CID 139336363
N-[2-[4-[[5-butoxy-2-(2,6-dimethylphenyl)-3-fluoroindol-1-yl]methyl]phenyl]ethyl]cyclobutanamine
CID 155635134
2-[4-[[5-butoxy-3-fluoro-2-(4-methoxyphenyl)indol-1-yl]methyl]phenyl]ethanol
CID 155635050
tert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane
CID 150361755
2-[4-[[2-(2-chlorophenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol
CID 161108593
2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole
CID 134335662
2-[4-[[3-chloro-2-(4-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]-N-ethylethanamine
CID 139336520
1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde
CID 99991385
1-benzyl-4-hydroxy-6-phenylmethoxyquinolin-2-one
CID 54729466
2-[1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylmethoxyindol-3-yl]acetic acid
CID 19935726

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol (CID 155265382) is 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol is Cc1cccc(C)c1-c1c(F)c2cc(OCc3ccccc3)ccc2n1Cc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol?
The InChIKey is JJZJLSXCVHKVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FNO2/c1-22-7-6-8-23(2)30(22)32-31(33)28-19-27(36-21-26-9-4-3-5-10-26)15-16-29(28)34(32)20-25-13-11-24(12-14-25)17-18-35/h3-16,19,35H,17-18,20-21H2,1-2H3.
What are the key properties of 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol?
2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol has a molecular weight of 479.60 g/mol, XLogP of 7.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol is sourced from PubChem (CID 155265382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).