methanol;trichloroindigane

CH4Cl3InO — CID 175008882

IUPACmethanol;trichloroindigane
SMILESCO.Cl[In](Cl)Cl
InChIInChI=1S/CH4O.3ClH.In/c1-2;;;;/h2H,1H3;3*1H;/q;;;;+3/p-3
InChIKeyRGMKPSVDJJNGFY-UHFFFAOYSA-K
MW253.22 g/mol
LogP1.30
Rot. Bonds

About methanol;trichloroindigane

methanol;trichloroindigane (PubChem CID 175008882) has the molecular formula CH4Cl3InO and a molecular weight of 253.22 g/mol. Its IUPAC name is methanol;trichloroindigane.

Molecular Properties

Compound Namemethanol;trichloroindigane
PubChem CID175008882
Molecular FormulaCH4Cl3InO
Molecular Weight253.22 g/mol
Exact Mass251.84
IUPAC Namemethanol;trichloroindigane
SMILESCO.Cl[In](Cl)Cl
InChIInChI=1S/CH4O.3ClH.In/c1-2;;;;/h2H,1H3;3*1H;/q;;;;+3/p-3
InChIKeyRGMKPSVDJJNGFY-UHFFFAOYSA-K
XLogP1.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methanol;trichloroindigane?
The IUPAC name of methanol;trichloroindigane (CID 175008882) is methanol;trichloroindigane.
What is the SMILES notation for methanol;trichloroindigane?
The canonical SMILES for methanol;trichloroindigane is CO.Cl[In](Cl)Cl.
What is the InChIKey of methanol;trichloroindigane?
The InChIKey is RGMKPSVDJJNGFY-UHFFFAOYSA-K. The full InChI is InChI=1S/CH4O.3ClH.In/c1-2;;;;/h2H,1H3;3*1H;/q;;;;+3/p-3.
What are the key properties of methanol;trichloroindigane?
methanol;trichloroindigane has a molecular weight of 253.22 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;trichloroindigane is sourced from PubChem (CID 175008882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).