propan-2-yl 1-(2-hydroxy-3-oxo-3-propan-2-yloxypropyl)indole-2-carboxylate

C18H23NO5 — CID 174855601

IUPACpropan-2-yl 1-(2-hydroxy-3-oxo-3-propan-2-yloxypropyl)indole-2-carboxylate
SMILESCC(C)OC(=O)c1cc2ccccc2n1CC(O)C(=O)OC(C)C
InChIInChI=1S/C18H23NO5/c1-11(2)23-17(21)15-9-13-7-5-6-8-14(13)19(15)10-16(20)18(22)24-12(3)4/h5-9,11-12,16,20H,10H2,1-4H3
InChIKeyANBMSZVJMMOJSD-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.52
Rot. Bonds6

About propan-2-yl 1-(2-hydroxy-3-oxo-3-propan-2-yloxypropyl)indole-2-carboxylate

propan-2-yl 1-(2-hydroxy-3-oxo-3-propan-2-yloxypropyl)indole-2-carboxylate (PubChem CID 174855601) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is propan-2-yl 1-(2-hydroxy-3-oxo-3-propan-2-yloxypropyl)indole-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-(2-hydroxy-3-oxo-3-propan-2-yloxypropyl)indole-2-carboxylate
PubChem CID174855601
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Namepropan-2-yl 1-(2-hydroxy-3-oxo-3-propan-2-yloxypropyl)indole-2-carboxylate
SMILESCC(C)OC(=O)c1cc2ccccc2n1CC(O)C(=O)OC(C)C
InChIInChI=1S/C18H23NO5/c1-11(2)23-17(21)15-9-13-7-5-6-8-14(13)19(15)10-16(20)18(22)24-12(3)4/h5-9,11-12,16,20H,10H2,1-4H3
InChIKeyANBMSZVJMMOJSD-UHFFFAOYSA-N
XLogP2.52
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-(2-hydroxy-3-oxo-3-propan-2-yloxypropyl)indole-2-carboxylate?
The IUPAC name of propan-2-yl 1-(2-hydroxy-3-oxo-3-propan-2-yloxypropyl)indole-2-carboxylate (CID 174855601) is propan-2-yl 1-(2-hydroxy-3-oxo-3-propan-2-yloxypropyl)indole-2-carboxylate.
What is the SMILES notation for propan-2-yl 1-(2-hydroxy-3-oxo-3-propan-2-yloxypropyl)indole-2-carboxylate?
The canonical SMILES for propan-2-yl 1-(2-hydroxy-3-oxo-3-propan-2-yloxypropyl)indole-2-carboxylate is CC(C)OC(=O)c1cc2ccccc2n1CC(O)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 1-(2-hydroxy-3-oxo-3-propan-2-yloxypropyl)indole-2-carboxylate?
The InChIKey is ANBMSZVJMMOJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-11(2)23-17(21)15-9-13-7-5-6-8-14(13)19(15)10-16(20)18(22)24-12(3)4/h5-9,11-12,16,20H,10H2,1-4H3.
What are the key properties of propan-2-yl 1-(2-hydroxy-3-oxo-3-propan-2-yloxypropyl)indole-2-carboxylate?
propan-2-yl 1-(2-hydroxy-3-oxo-3-propan-2-yloxypropyl)indole-2-carboxylate has a molecular weight of 333.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-(2-hydroxy-3-oxo-3-propan-2-yloxypropyl)indole-2-carboxylate is sourced from PubChem (CID 174855601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).