5-chloro-1-[oxiran-2-yl(phenyl)methyl]indole

C17H14ClNO — CID 87617850

IUPAC5-chloro-1-[oxiran-2-yl(phenyl)methyl]indole
SMILESClc1ccc2c(ccn2C(c2ccccc2)C2CO2)c1
InChIInChI=1S/C17H14ClNO/c18-14-6-7-15-13(10-14)8-9-19(15)17(16-11-20-16)12-4-2-1-3-5-12/h1-10,16-17H,11H2
InChIKeyXCHGBWWHVSJIBP-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.28
Rot. Bonds3

About 5-chloro-1-[oxiran-2-yl(phenyl)methyl]indole

5-chloro-1-[oxiran-2-yl(phenyl)methyl]indole (PubChem CID 87617850) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-chloro-1-[oxiran-2-yl(phenyl)methyl]indole.

Molecular Properties

Compound Name5-chloro-1-[oxiran-2-yl(phenyl)methyl]indole
PubChem CID87617850
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name5-chloro-1-[oxiran-2-yl(phenyl)methyl]indole
SMILESClc1ccc2c(ccn2C(c2ccccc2)C2CO2)c1
InChIInChI=1S/C17H14ClNO/c18-14-6-7-15-13(10-14)8-9-19(15)17(16-11-20-16)12-4-2-1-3-5-12/h1-10,16-17H,11H2
InChIKeyXCHGBWWHVSJIBP-UHFFFAOYSA-N
XLogP4.28
TPSA17.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-benzhydryl-6-chloroindole
CID 11580537
[3-(5-chloroindol-1-yl)-2-hydroxy-3-phenylpropyl] 4-methylbenzenesulfonate
CID 141126968
2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
CID 53371268
1-(1-benzhydrylindol-5-yl)ethanone
CID 10087707
1-(5-chloroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 68906067
2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide
CID 39336499
7-chloropyrrolo[1,2-a]quinoline
CID 101270270
2-[(R)-fluoro(phenyl)methyl]oxirane
CID 87788232
(2R)-2-[(S)-bromo(phenyl)methyl]oxirane
CID 14961977
(E)-3-[1-[bis(4-chlorophenyl)methyl]indol-5-yl]but-2-enoic acid
CID 10433143
(2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid
CID 68889856
7-chloro-2-[1-(1-phenylethyl)pyrrolo[3,2-c]pyridin-5-ium-5-yl]-3,4-dihydro-2H-naphthalen-1-one
CID 171432944

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[oxiran-2-yl(phenyl)methyl]indole?
The IUPAC name of 5-chloro-1-[oxiran-2-yl(phenyl)methyl]indole (CID 87617850) is 5-chloro-1-[oxiran-2-yl(phenyl)methyl]indole.
What is the SMILES notation for 5-chloro-1-[oxiran-2-yl(phenyl)methyl]indole?
The canonical SMILES for 5-chloro-1-[oxiran-2-yl(phenyl)methyl]indole is Clc1ccc2c(ccn2C(c2ccccc2)C2CO2)c1.
What is the InChIKey of 5-chloro-1-[oxiran-2-yl(phenyl)methyl]indole?
The InChIKey is XCHGBWWHVSJIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c18-14-6-7-15-13(10-14)8-9-19(15)17(16-11-20-16)12-4-2-1-3-5-12/h1-10,16-17H,11H2.
What are the key properties of 5-chloro-1-[oxiran-2-yl(phenyl)methyl]indole?
5-chloro-1-[oxiran-2-yl(phenyl)methyl]indole has a molecular weight of 283.76 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[oxiran-2-yl(phenyl)methyl]indole is sourced from PubChem (CID 87617850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).