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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Related Compounds

2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol
CID 174246583
N-ethyl-2-[4-[[3-fluoro-5-methyl-2-(2-methylphenyl)indol-1-yl]methyl]phenyl]ethanamine
CID 174246607
2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol
CID 155265382
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
1-[[4-[2-(cyclopropylmethylamino)ethyl]phenyl]methyl]-3-fluoro-2-(2-methylphenyl)indol-5-ol
CID 139331404
2-[4-[[5-butoxy-3-fluoro-2-(4-methoxyphenyl)indol-1-yl]methyl]phenyl]ethanol
CID 155635050
2-[2-[4-[[3-fluoro-2-(2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethyl]isoindole-1,3-dione
CID 139336363
4-[(2,3,5-trimethylindol-1-yl)methyl]phenol
CID 143599776
2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile
CID 82268508
9-[(4-fluorophenyl)methyl]-6-methylcarbazol-4-ol
CID 18671681
2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine
CID 155265344
N-[2-[4-[[5-butoxy-3-fluoro-2-(2-methoxyphenyl)indol-1-yl]methyl]phenyl]ethyl]propan-1-amine
CID 155635089

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).