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

C10H11Cl2NO — CID 43810644

IUPAC4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol
SMILESCNC1c2cc(Cl)cc(Cl)c2CC1O
InChIInChI=1S/C10H11Cl2NO/c1-13-10-7-2-5(11)3-8(12)6(7)4-9(10)14/h2-3,9-10,13-14H,4H2,1H3
InChIKeyZBQMTJZQSAUXMK-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.17
Rot. Bonds1

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

4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol (PubChem CID 43810644) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol
PubChem CID43810644
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol
SMILESCNC1c2cc(Cl)cc(Cl)c2CC1O
InChIInChI=1S/C10H11Cl2NO/c1-13-10-7-2-5(11)3-8(12)6(7)4-9(10)14/h2-3,9-10,13-14H,4H2,1H3
InChIKeyZBQMTJZQSAUXMK-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.17
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?
The IUPAC name of 4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol (CID 43810644) is 4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol is CNC1c2cc(Cl)cc(Cl)c2CC1O.
What is the InChIKey of 4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol?
The InChIKey is ZBQMTJZQSAUXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-13-10-7-2-5(11)3-8(12)6(7)4-9(10)14/h2-3,9-10,13-14H,4H2,1H3.
What are the key properties of 4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol?
4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol has a molecular weight of 232.11 g/mol, XLogP of 2.17, 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 is sourced from PubChem (CID 43810644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).