(1S,2R)-2-amino-5,7-dichloro-2,3-dihydro-1H-inden-1-ol

C9H9Cl2NO — CID 51600789

IUPAC(1S,2R)-2-amino-5,7-dichloro-2,3-dihydro-1H-inden-1-ol
SMILESN[C@@H]1Cc2cc(Cl)cc(Cl)c2[C@@H]1O
InChIInChI=1S/C9H9Cl2NO/c10-5-1-4-2-7(12)9(13)8(4)6(11)3-5/h1,3,7,9,13H,2,12H2/t7-,9-/m1/s1
InChIKeyUIPIGMAGKVZZEZ-VXNVDRBHSA-N
MW218.08 g/mol
LogP1.91
Rot. Bonds

About (1S,2R)-2-amino-5,7-dichloro-2,3-dihydro-1H-inden-1-ol

(1S,2R)-2-amino-5,7-dichloro-2,3-dihydro-1H-inden-1-ol (PubChem CID 51600789) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is (1S,2R)-2-amino-5,7-dichloro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-5,7-dichloro-2,3-dihydro-1H-inden-1-ol
PubChem CID51600789
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name(1S,2R)-2-amino-5,7-dichloro-2,3-dihydro-1H-inden-1-ol
SMILESN[C@@H]1Cc2cc(Cl)cc(Cl)c2[C@@H]1O
InChIInChI=1S/C9H9Cl2NO/c10-5-1-4-2-7(12)9(13)8(4)6(11)3-5/h1,3,7,9,13H,2,12H2/t7-,9-/m1/s1
InChIKeyUIPIGMAGKVZZEZ-VXNVDRBHSA-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

Analyze (1S,2R)-2-amino-5,7-dichloro-2,3-dihydro-1H-inden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-5,7-dichloro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2R)-2-amino-5,7-dichloro-2,3-dihydro-1H-inden-1-ol (CID 51600789) is (1S,2R)-2-amino-5,7-dichloro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-5,7-dichloro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2R)-2-amino-5,7-dichloro-2,3-dihydro-1H-inden-1-ol is N[C@@H]1Cc2cc(Cl)cc(Cl)c2[C@@H]1O.
What is the InChIKey of (1S,2R)-2-amino-5,7-dichloro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is UIPIGMAGKVZZEZ-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c10-5-1-4-2-7(12)9(13)8(4)6(11)3-5/h1,3,7,9,13H,2,12H2/t7-,9-/m1/s1.
What are the key properties of (1S,2R)-2-amino-5,7-dichloro-2,3-dihydro-1H-inden-1-ol?
(1S,2R)-2-amino-5,7-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,2R)-2-amino-5,7-dichloro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 51600789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).