4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol;hydrochloride

C10H12Cl3NO — CID 43810643

IUPAC4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol;hydrochloride
SMILESCNC1c2cc(Cl)cc(Cl)c2CC1O.Cl
InChIInChI=1S/C10H11Cl2NO.ClH/c1-13-10-7-2-5(11)3-8(12)6(7)4-9(10)14;/h2-3,9-10,13-14H,4H2,1H3;1H
InChIKeyRRJKXQXHUFIUQM-UHFFFAOYSA-N
MW268.57 g/mol
LogP2.59
Rot. Bonds1

About 4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol;hydrochloride

4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol;hydrochloride (PubChem CID 43810643) has the molecular formula C10H12Cl3NO and a molecular weight of 268.57 g/mol. Its IUPAC name is 4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol;hydrochloride.

Molecular Properties

Compound Name4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol;hydrochloride
PubChem CID43810643
Molecular FormulaC10H12Cl3NO
Molecular Weight268.57 g/mol
Exact Mass267.00
IUPAC Name4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol;hydrochloride
SMILESCNC1c2cc(Cl)cc(Cl)c2CC1O.Cl
InChIInChI=1S/C10H11Cl2NO.ClH/c1-13-10-7-2-5(11)3-8(12)6(7)4-9(10)14;/h2-3,9-10,13-14H,4H2,1H3;1H
InChIKeyRRJKXQXHUFIUQM-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.57
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol;hydrochloride?
The IUPAC name of 4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol;hydrochloride (CID 43810643) is 4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol;hydrochloride.
What is the SMILES notation for 4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol;hydrochloride?
The canonical SMILES for 4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol;hydrochloride is CNC1c2cc(Cl)cc(Cl)c2CC1O.Cl.
What is the InChIKey of 4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol;hydrochloride?
The InChIKey is RRJKXQXHUFIUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO.ClH/c1-13-10-7-2-5(11)3-8(12)6(7)4-9(10)14;/h2-3,9-10,13-14H,4H2,1H3;1H.
What are the key properties of 4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol;hydrochloride?
4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol;hydrochloride has a molecular weight of 268.57 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol;hydrochloride is sourced from PubChem (CID 43810643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).