3,3-bis(1H-indol-3-yl)propane-1,2-diol

C19H18N2O2 — CID 22019312

IUPAC3,3-bis(1H-indol-3-yl)propane-1,2-diol
SMILESOCC(O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C19H18N2O2/c22-11-18(23)19(14-9-20-16-7-3-1-5-12(14)16)15-10-21-17-8-4-2-6-13(15)17/h1-10,18-23H,11H2
InChIKeyOGXNFSOEIVPPSG-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.13
Rot. Bonds4

About 3,3-bis(1H-indol-3-yl)propane-1,2-diol

3,3-bis(1H-indol-3-yl)propane-1,2-diol (PubChem CID 22019312) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3,3-bis(1H-indol-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name3,3-bis(1H-indol-3-yl)propane-1,2-diol
PubChem CID22019312
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3,3-bis(1H-indol-3-yl)propane-1,2-diol
SMILESOCC(O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C19H18N2O2/c22-11-18(23)19(14-9-20-16-7-3-1-5-12(14)16)15-10-21-17-8-4-2-6-13(15)17/h1-10,18-23H,11H2
InChIKeyOGXNFSOEIVPPSG-UHFFFAOYSA-N
XLogP3.13
TPSA72.04 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(1H-indol-3-yl)propane-1,2-diol?
The IUPAC name of 3,3-bis(1H-indol-3-yl)propane-1,2-diol (CID 22019312) is 3,3-bis(1H-indol-3-yl)propane-1,2-diol.
What is the SMILES notation for 3,3-bis(1H-indol-3-yl)propane-1,2-diol?
The canonical SMILES for 3,3-bis(1H-indol-3-yl)propane-1,2-diol is OCC(O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 3,3-bis(1H-indol-3-yl)propane-1,2-diol?
The InChIKey is OGXNFSOEIVPPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-11-18(23)19(14-9-20-16-7-3-1-5-12(14)16)15-10-21-17-8-4-2-6-13(15)17/h1-10,18-23H,11H2.
What are the key properties of 3,3-bis(1H-indol-3-yl)propane-1,2-diol?
3,3-bis(1H-indol-3-yl)propane-1,2-diol has a molecular weight of 306.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(1H-indol-3-yl)propane-1,2-diol is sourced from PubChem (CID 22019312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).