4,6-dichloro-1-[(4-ethylphenyl)methyl]indole

C17H15Cl2N — CID 103428167

IUPAC4,6-dichloro-1-[(4-ethylphenyl)methyl]indole
SMILESCCc1ccc(Cn2ccc3c(Cl)cc(Cl)cc32)cc1
InChIInChI=1S/C17H15Cl2N/c1-2-12-3-5-13(6-4-12)11-20-8-7-15-16(19)9-14(18)10-17(15)20/h3-10H,2,11H2,1H3
InChIKeyBSVTWZBMVYDOMI-UHFFFAOYSA-N
MW304.22 g/mol
LogP5.56
Rot. Bonds3

About 4,6-dichloro-1-[(4-ethylphenyl)methyl]indole

4,6-dichloro-1-[(4-ethylphenyl)methyl]indole (PubChem CID 103428167) has the molecular formula C17H15Cl2N and a molecular weight of 304.22 g/mol. Its IUPAC name is 4,6-dichloro-1-[(4-ethylphenyl)methyl]indole.

Molecular Properties

Compound Name4,6-dichloro-1-[(4-ethylphenyl)methyl]indole
PubChem CID103428167
Molecular FormulaC17H15Cl2N
Molecular Weight304.22 g/mol
Exact Mass303.06
IUPAC Name4,6-dichloro-1-[(4-ethylphenyl)methyl]indole
SMILESCCc1ccc(Cn2ccc3c(Cl)cc(Cl)cc32)cc1
InChIInChI=1S/C17H15Cl2N/c1-2-12-3-5-13(6-4-12)11-20-8-7-15-16(19)9-14(18)10-17(15)20/h3-10H,2,11H2,1H3
InChIKeyBSVTWZBMVYDOMI-UHFFFAOYSA-N
XLogP5.56
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.22
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-dichloro-1-[(4-iodophenyl)methyl]indole
CID 103428355
4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole
CID 103428306
4,6-dichloro-1-[(2,6-dichlorophenyl)methyl]indole
CID 103428456
4,6-dichloro-1-[(1,3-diethylpyrazol-5-yl)methyl]indole
CID 103428325
4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole
CID 103428232
4,6-dichloro-1-(2-methylsulfanylethyl)indole
CID 103428339
4,6-dichloro-1-[(3-nitrophenyl)methyl]indole
CID 103428182
4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole
CID 103428376
4,6-dichloro-1-(3-ethylsulfonylpropyl)indole
CID 103428287
4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole
CID 103428267
4,6-dichloro-1-(2-methylsulfonylethyl)indole
CID 103428479
4,6-dichloro-1-pent-3-ynylindole
CID 103428441

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-[(4-ethylphenyl)methyl]indole?
The IUPAC name of 4,6-dichloro-1-[(4-ethylphenyl)methyl]indole (CID 103428167) is 4,6-dichloro-1-[(4-ethylphenyl)methyl]indole.
What is the SMILES notation for 4,6-dichloro-1-[(4-ethylphenyl)methyl]indole?
The canonical SMILES for 4,6-dichloro-1-[(4-ethylphenyl)methyl]indole is CCc1ccc(Cn2ccc3c(Cl)cc(Cl)cc32)cc1.
What is the InChIKey of 4,6-dichloro-1-[(4-ethylphenyl)methyl]indole?
The InChIKey is BSVTWZBMVYDOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N/c1-2-12-3-5-13(6-4-12)11-20-8-7-15-16(19)9-14(18)10-17(15)20/h3-10H,2,11H2,1H3.
What are the key properties of 4,6-dichloro-1-[(4-ethylphenyl)methyl]indole?
4,6-dichloro-1-[(4-ethylphenyl)methyl]indole has a molecular weight of 304.22 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-[(4-ethylphenyl)methyl]indole is sourced from PubChem (CID 103428167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).