4,5-dichloro-2,3-dihydro-1H-inden-1-ol

C9H8Cl2O — CID 22757692

IUPAC4,5-dichloro-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C9H8Cl2O/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3,8,12H,2,4H2
InChIKeyWDADKGIADWWPGI-UHFFFAOYSA-N
MW203.07 g/mol
LogP2.97
Rot. Bonds

About 4,5-dichloro-2,3-dihydro-1H-inden-1-ol

4,5-dichloro-2,3-dihydro-1H-inden-1-ol (PubChem CID 22757692) has the molecular formula C9H8Cl2O and a molecular weight of 203.07 g/mol. Its IUPAC name is 4,5-dichloro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4,5-dichloro-2,3-dihydro-1H-inden-1-ol
PubChem CID22757692
Molecular FormulaC9H8Cl2O
Molecular Weight203.07 g/mol
Exact Mass202.00
IUPAC Name4,5-dichloro-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C9H8Cl2O/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3,8,12H,2,4H2
InChIKeyWDADKGIADWWPGI-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4,5-dichloro-2,3-dihydro-1H-inden-1-ol (CID 22757692) is 4,5-dichloro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4,5-dichloro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4,5-dichloro-2,3-dihydro-1H-inden-1-ol is OC1CCc2c1ccc(Cl)c2Cl.
What is the InChIKey of 4,5-dichloro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is WDADKGIADWWPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3,8,12H,2,4H2.
What are the key properties of 4,5-dichloro-2,3-dihydro-1H-inden-1-ol?
4,5-dichloro-2,3-dihydro-1H-inden-1-ol has a molecular weight of 203.07 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 22757692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).