1-[(E)-3-chloroprop-2-enyl]-2-phenylindole

C17H14ClN — CID 116619067

IUPAC1-[(E)-3-chloroprop-2-enyl]-2-phenylindole
SMILESCl/C=C/Cn1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C17H14ClN/c18-11-6-12-19-16-10-5-4-9-15(16)13-17(19)14-7-2-1-3-8-14/h1-11,13H,12H2/b11-6+
InChIKeyIXTUPPJQUKDNMY-IZZDOVSWSA-N
MW267.76 g/mol
LogP5.06
Rot. Bonds3

About 1-[(E)-3-chloroprop-2-enyl]-2-phenylindole

1-[(E)-3-chloroprop-2-enyl]-2-phenylindole (PubChem CID 116619067) has the molecular formula C17H14ClN and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-2-phenylindole.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-2-phenylindole
PubChem CID116619067
Molecular FormulaC17H14ClN
Molecular Weight267.76 g/mol
Exact Mass267.08
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-2-phenylindole
SMILESCl/C=C/Cn1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C17H14ClN/c18-11-6-12-19-16-10-5-4-9-15(16)13-17(19)14-7-2-1-3-8-14/h1-11,13H,12H2/b11-6+
InChIKeyIXTUPPJQUKDNMY-IZZDOVSWSA-N
XLogP5.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.76
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trifluoro-[(2-phenylindol-1-yl)methyl]boranuide
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1-pentyl-2-phenylindole
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1-(3-methylbut-3-enyl)-2-phenylindole
CID 114476740
1-phenyl-3-(2-phenylindol-1-yl)propan-1-one
CID 151018616
benzene;1-methyl-2-phenylindole
CID 158316839
hydrogen sulfite;2-phenyl-1-propylindole
CID 121433978
1-(cyclopropylmethoxymethyl)-2-phenylindole
CID 106931089
1-but-2-enyl-2-methylindole
CID 77019089
1-benzyl-7-methyl-2-phenylindole
CID 155931625
1-(methoxymethyl)-2-(4-methoxyphenyl)indole
CID 177434796
1-ethoxy-2-phenylindole
CID 21443598
trimethyl-(2-phenylindol-1-yl)silane
CID 622110

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-2-phenylindole?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-2-phenylindole (CID 116619067) is 1-[(E)-3-chloroprop-2-enyl]-2-phenylindole.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-2-phenylindole?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-2-phenylindole is Cl/C=C/Cn1c(-c2ccccc2)cc2ccccc21.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-2-phenylindole?
The InChIKey is IXTUPPJQUKDNMY-IZZDOVSWSA-N. The full InChI is InChI=1S/C17H14ClN/c18-11-6-12-19-16-10-5-4-9-15(16)13-17(19)14-7-2-1-3-8-14/h1-11,13H,12H2/b11-6+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-2-phenylindole?
1-[(E)-3-chloroprop-2-enyl]-2-phenylindole has a molecular weight of 267.76 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]-2-phenylindole is sourced from PubChem (CID 116619067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).