2-(2,3-dichloro-6-hydroxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

C14H15Cl2NO3 — CID 175799693

IUPAC2-(2,3-dichloro-6-hydroxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1CC(O)CC2CC(c3c(O)ccc(Cl)c3Cl)CN12
InChIInChI=1S/C14H15Cl2NO3/c15-10-1-2-11(19)13(14(10)16)7-3-8-4-9(18)5-12(20)17(8)6-7/h1-2,7-9,18-19H,3-6H2
InChIKeyHRARQEFEQHWJCB-UHFFFAOYSA-N
MW316.18 g/mol
LogP2.54
Rot. Bonds1

About 2-(2,3-dichloro-6-hydroxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

2-(2,3-dichloro-6-hydroxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 175799693) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is 2-(2,3-dichloro-6-hydroxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name2-(2,3-dichloro-6-hydroxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID175799693
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name2-(2,3-dichloro-6-hydroxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1CC(O)CC2CC(c3c(O)ccc(Cl)c3Cl)CN12
InChIInChI=1S/C14H15Cl2NO3/c15-10-1-2-11(19)13(14(10)16)7-3-8-4-9(18)5-12(20)17(8)6-7/h1-2,7-9,18-19H,3-6H2
InChIKeyHRARQEFEQHWJCB-UHFFFAOYSA-N
XLogP2.54
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-6-hydroxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of 2-(2,3-dichloro-6-hydroxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 175799693) is 2-(2,3-dichloro-6-hydroxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for 2-(2,3-dichloro-6-hydroxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for 2-(2,3-dichloro-6-hydroxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is O=C1CC(O)CC2CC(c3c(O)ccc(Cl)c3Cl)CN12.
What is the InChIKey of 2-(2,3-dichloro-6-hydroxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is HRARQEFEQHWJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c15-10-1-2-11(19)13(14(10)16)7-3-8-4-9(18)5-12(20)17(8)6-7/h1-2,7-9,18-19H,3-6H2.
What are the key properties of 2-(2,3-dichloro-6-hydroxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
2-(2,3-dichloro-6-hydroxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 316.18 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-6-hydroxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 175799693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).