4,6-dichloro-1-[(3-chlorophenyl)methyl]indol-5-ol

C15H10Cl3NO — CID 139959943

IUPAC4,6-dichloro-1-[(3-chlorophenyl)methyl]indol-5-ol
SMILESOc1c(Cl)cc2c(ccn2Cc2cccc(Cl)c2)c1Cl
InChIInChI=1S/C15H10Cl3NO/c16-10-3-1-2-9(6-10)8-19-5-4-11-13(19)7-12(17)15(20)14(11)18/h1-7,20H,8H2
InChIKeyALLUTEWHFYPNQY-UHFFFAOYSA-N
MW326.61 g/mol
LogP5.36
Rot. Bonds2

About 4,6-dichloro-1-[(3-chlorophenyl)methyl]indol-5-ol

4,6-dichloro-1-[(3-chlorophenyl)methyl]indol-5-ol (PubChem CID 139959943) has the molecular formula C15H10Cl3NO and a molecular weight of 326.61 g/mol. Its IUPAC name is 4,6-dichloro-1-[(3-chlorophenyl)methyl]indol-5-ol.

Molecular Properties

Compound Name4,6-dichloro-1-[(3-chlorophenyl)methyl]indol-5-ol
PubChem CID139959943
Molecular FormulaC15H10Cl3NO
Molecular Weight326.61 g/mol
Exact Mass324.98
IUPAC Name4,6-dichloro-1-[(3-chlorophenyl)methyl]indol-5-ol
SMILESOc1c(Cl)cc2c(ccn2Cc2cccc(Cl)c2)c1Cl
InChIInChI=1S/C15H10Cl3NO/c16-10-3-1-2-9(6-10)8-19-5-4-11-13(19)7-12(17)15(20)14(11)18/h1-7,20H,8H2
InChIKeyALLUTEWHFYPNQY-UHFFFAOYSA-N
XLogP5.36
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.61
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-[(3-chlorophenyl)methyl]indole
CID 116626137
1-[(3-chlorophenyl)methyl]-4-nitroindole
CID 115635423
2-[(3-chlorophenyl)methyl]isoindol-1-ol
CID 91493733
4,6-dichloro-1-[(3-nitrophenyl)methyl]indole
CID 103428182
1-[(3-chlorophenyl)methyl]-2-iodoimidazole
CID 131631931
1-[(3-chlorophenyl)methyl]-2-sulfanylidenepyrimidin-4-one
CID 62533456
3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione
CID 54683575
4,6-dichloro-1-[(2,6-dichlorophenyl)methyl]indole
CID 103428456
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 144709444
1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one
CID 67193433
4-bromo-1-[(3,4-dichlorophenyl)methyl]indole
CID 116626065
1-[(3,4-dichlorophenyl)methyl]-4-methylindole
CID 116620210

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-[(3-chlorophenyl)methyl]indol-5-ol?
The IUPAC name of 4,6-dichloro-1-[(3-chlorophenyl)methyl]indol-5-ol (CID 139959943) is 4,6-dichloro-1-[(3-chlorophenyl)methyl]indol-5-ol.
What is the SMILES notation for 4,6-dichloro-1-[(3-chlorophenyl)methyl]indol-5-ol?
The canonical SMILES for 4,6-dichloro-1-[(3-chlorophenyl)methyl]indol-5-ol is Oc1c(Cl)cc2c(ccn2Cc2cccc(Cl)c2)c1Cl.
What is the InChIKey of 4,6-dichloro-1-[(3-chlorophenyl)methyl]indol-5-ol?
The InChIKey is ALLUTEWHFYPNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO/c16-10-3-1-2-9(6-10)8-19-5-4-11-13(19)7-12(17)15(20)14(11)18/h1-7,20H,8H2.
What are the key properties of 4,6-dichloro-1-[(3-chlorophenyl)methyl]indol-5-ol?
4,6-dichloro-1-[(3-chlorophenyl)methyl]indol-5-ol has a molecular weight of 326.61 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-[(3-chlorophenyl)methyl]indol-5-ol is sourced from PubChem (CID 139959943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).