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

C9H9Cl2NO — CID 51557059

IUPAC(1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol
SMILESN[C@H]1Cc2c(Cl)cc(Cl)cc2[C@@H]1O
InChIInChI=1S/C9H9Cl2NO/c10-4-1-6-5(7(11)2-4)3-8(12)9(6)13/h1-2,8-9,13H,3,12H2/t8-,9-/m0/s1
InChIKeyQBQQEKHSIRVPES-IUCAKERBSA-N
MW218.08 g/mol
LogP1.91
Rot. Bonds

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

(1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol (PubChem CID 51557059) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is (1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol
PubChem CID51557059
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name(1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol
SMILESN[C@H]1Cc2c(Cl)cc(Cl)cc2[C@@H]1O
InChIInChI=1S/C9H9Cl2NO/c10-4-1-6-5(7(11)2-4)3-8(12)9(6)13/h1-2,8-9,13H,3,12H2/t8-,9-/m0/s1
InChIKeyQBQQEKHSIRVPES-IUCAKERBSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol (CID 51557059) is (1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol is N[C@H]1Cc2c(Cl)cc(Cl)cc2[C@@H]1O.
What is the InChIKey of (1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is QBQQEKHSIRVPES-IUCAKERBSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c10-4-1-6-5(7(11)2-4)3-8(12)9(6)13/h1-2,8-9,13H,3,12H2/t8-,9-/m0/s1.
What are the key properties of (1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol?
(1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol has a molecular weight of 218.08 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 51557059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).