3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diol

C15H13Cl2NO2 — CID 4657253

IUPAC3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diol
SMILESOCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C15H13Cl2NO2/c16-9-1-3-14-12(5-9)13-6-10(17)2-4-15(13)18(14)7-11(20)8-19/h1-6,11,19-20H,7-8H2
InChIKeyHUEAREQFYNUIEN-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.45
Rot. Bonds3

About 3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diol

3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diol (PubChem CID 4657253) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diol
PubChem CID4657253
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diol
SMILESOCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C15H13Cl2NO2/c16-9-1-3-14-12(5-9)13-6-10(17)2-4-15(13)18(14)7-11(20)8-19/h1-6,11,19-20H,7-8H2
InChIKeyHUEAREQFYNUIEN-UHFFFAOYSA-N
XLogP3.45
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diol?
The IUPAC name of 3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diol (CID 4657253) is 3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diol.
What is the SMILES notation for 3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diol?
The canonical SMILES for 3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diol is OCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diol?
The InChIKey is HUEAREQFYNUIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-9-1-3-14-12(5-9)13-6-10(17)2-4-15(13)18(14)7-11(20)8-19/h1-6,11,19-20H,7-8H2.
What are the key properties of 3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diol?
3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diol has a molecular weight of 310.18 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diol is sourced from PubChem (CID 4657253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).