4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole

C15H17Cl2NO — CID 103428444

IUPAC4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole
SMILESCC1(C)CCC(Cn2ccc3c(Cl)cc(Cl)cc32)O1
InChIInChI=1S/C15H17Cl2NO/c1-15(2)5-3-11(19-15)9-18-6-4-12-13(17)7-10(16)8-14(12)18/h4,6-8,11H,3,5,9H2,1-2H3
InChIKeyXAQIYHJZQCXCIB-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.91
Rot. Bonds2

About 4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole

4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole (PubChem CID 103428444) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole.

Molecular Properties

Compound Name4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole
PubChem CID103428444
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole
SMILESCC1(C)CCC(Cn2ccc3c(Cl)cc(Cl)cc32)O1
InChIInChI=1S/C15H17Cl2NO/c1-15(2)5-3-11(19-15)9-18-6-4-12-13(17)7-10(16)8-14(12)18/h4,6-8,11H,3,5,9H2,1-2H3
InChIKeyXAQIYHJZQCXCIB-UHFFFAOYSA-N
XLogP4.91
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole?
The IUPAC name of 4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole (CID 103428444) is 4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole.
What is the SMILES notation for 4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole?
The canonical SMILES for 4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole is CC1(C)CCC(Cn2ccc3c(Cl)cc(Cl)cc32)O1.
What is the InChIKey of 4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole?
The InChIKey is XAQIYHJZQCXCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c1-15(2)5-3-11(19-15)9-18-6-4-12-13(17)7-10(16)8-14(12)18/h4,6-8,11H,3,5,9H2,1-2H3.
What are the key properties of 4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole?
4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole has a molecular weight of 298.21 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole is sourced from PubChem (CID 103428444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).