7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole

C18H16ClN — CID 122373983

IUPAC7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole
SMILESCC(/C=C/c1ccccc1)c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C18H16ClN/c1-13(10-11-14-6-3-2-4-7-14)16-12-20-18-15(16)8-5-9-17(18)19/h2-13,20H,1H3/b11-10+
InChIKeyYFVJKBBEOCUZDN-ZHACJKMWSA-N
MW281.79 g/mol
LogP5.64
Rot. Bonds3

About 7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole

7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole (PubChem CID 122373983) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is 7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole.

Molecular Properties

Compound Name7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole
PubChem CID122373983
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC Name7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole
SMILESCC(/C=C/c1ccccc1)c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C18H16ClN/c1-13(10-11-14-6-3-2-4-7-14)16-12-20-18-15(16)8-5-9-17(18)19/h2-13,20H,1H3/b11-10+
InChIKeyYFVJKBBEOCUZDN-ZHACJKMWSA-N
XLogP5.64
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.79
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

7-chloro-3-[1-(7-chloro-1H-indol-3-yl)ethyl]-1H-indole
CID 102233204
1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene
CID 102229934
7-chloro-3-(2-methylpentan-3-yl)-1H-indole
CID 106985200
1-(7-chloro-1H-indol-3-yl)propan-1-amine
CID 76846666
6-nitro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole
CID 122373985
3-[(E)-5-methylhex-3-en-2-yl]-1H-indole
CID 102097534
1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene
CID 18968341
3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole
CID 11360037
ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate
CID 115073313
3-bromo-7-chloro-1H-indole
CID 2763282
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
7-fluoro-3-propan-2-yl-1H-indole
CID 86276645

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole?
The IUPAC name of 7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole (CID 122373983) is 7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole.
What is the SMILES notation for 7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole?
The canonical SMILES for 7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole is CC(/C=C/c1ccccc1)c1c[nH]c2c(Cl)cccc12.
What is the InChIKey of 7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole?
The InChIKey is YFVJKBBEOCUZDN-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H16ClN/c1-13(10-11-14-6-3-2-4-7-14)16-12-20-18-15(16)8-5-9-17(18)19/h2-13,20H,1H3/b11-10+.
What are the key properties of 7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole?
7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole has a molecular weight of 281.79 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole is sourced from PubChem (CID 122373983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).