3-[4-(2,3-dihydroxypropyl)-2,3-dihydro-1H-indol-5-yl]propane-1,2-diol

C14H21NO4 — CID 67601663

IUPAC3-[4-(2,3-dihydroxypropyl)-2,3-dihydro-1H-indol-5-yl]propane-1,2-diol
SMILESOCC(O)Cc1ccc2c(c1CC(O)CO)CCN2
InChIInChI=1S/C14H21NO4/c16-7-10(18)5-9-1-2-14-12(3-4-15-14)13(9)6-11(19)8-17/h1-2,10-11,15-19H,3-8H2
InChIKeySLULWQPOOPPORL-UHFFFAOYSA-N
MW267.32 g/mol
LogP-0.55
Rot. Bonds6

About 3-[4-(2,3-dihydroxypropyl)-2,3-dihydro-1H-indol-5-yl]propane-1,2-diol

3-[4-(2,3-dihydroxypropyl)-2,3-dihydro-1H-indol-5-yl]propane-1,2-diol (PubChem CID 67601663) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-[4-(2,3-dihydroxypropyl)-2,3-dihydro-1H-indol-5-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-(2,3-dihydroxypropyl)-2,3-dihydro-1H-indol-5-yl]propane-1,2-diol
PubChem CID67601663
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3-[4-(2,3-dihydroxypropyl)-2,3-dihydro-1H-indol-5-yl]propane-1,2-diol
SMILESOCC(O)Cc1ccc2c(c1CC(O)CO)CCN2
InChIInChI=1S/C14H21NO4/c16-7-10(18)5-9-1-2-14-12(3-4-15-14)13(9)6-11(19)8-17/h1-2,10-11,15-19H,3-8H2
InChIKeySLULWQPOOPPORL-UHFFFAOYSA-N
XLogP-0.55
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 3-[4-(2,3-dihydroxypropyl)-2,3-dihydro-1H-indol-5-yl]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dihydroxypropyl)-2,3-dihydro-1H-indol-5-yl]propane-1,2-diol?
The IUPAC name of 3-[4-(2,3-dihydroxypropyl)-2,3-dihydro-1H-indol-5-yl]propane-1,2-diol (CID 67601663) is 3-[4-(2,3-dihydroxypropyl)-2,3-dihydro-1H-indol-5-yl]propane-1,2-diol.
What is the SMILES notation for 3-[4-(2,3-dihydroxypropyl)-2,3-dihydro-1H-indol-5-yl]propane-1,2-diol?
The canonical SMILES for 3-[4-(2,3-dihydroxypropyl)-2,3-dihydro-1H-indol-5-yl]propane-1,2-diol is OCC(O)Cc1ccc2c(c1CC(O)CO)CCN2.
What is the InChIKey of 3-[4-(2,3-dihydroxypropyl)-2,3-dihydro-1H-indol-5-yl]propane-1,2-diol?
The InChIKey is SLULWQPOOPPORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c16-7-10(18)5-9-1-2-14-12(3-4-15-14)13(9)6-11(19)8-17/h1-2,10-11,15-19H,3-8H2.
What are the key properties of 3-[4-(2,3-dihydroxypropyl)-2,3-dihydro-1H-indol-5-yl]propane-1,2-diol?
3-[4-(2,3-dihydroxypropyl)-2,3-dihydro-1H-indol-5-yl]propane-1,2-diol has a molecular weight of 267.32 g/mol, XLogP of -0.55, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydroxypropyl)-2,3-dihydro-1H-indol-5-yl]propane-1,2-diol is sourced from PubChem (CID 67601663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).