5-chloro-2,3-dihydro-1H-inden-1-ol

C9H9ClO — CID 22504804

IUPAC5-chloro-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(Cl)ccc21
InChIInChI=1S/C9H9ClO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,9,11H,1,4H2
InChIKeyWDXUNFVYUDYDQA-UHFFFAOYSA-N
MW168.62 g/mol
LogP2.32
Rot. Bonds

About 5-chloro-2,3-dihydro-1H-inden-1-ol

5-chloro-2,3-dihydro-1H-inden-1-ol (PubChem CID 22504804) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is 5-chloro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-chloro-2,3-dihydro-1H-inden-1-ol
PubChem CID22504804
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name5-chloro-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(Cl)ccc21
InChIInChI=1S/C9H9ClO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,9,11H,1,4H2
InChIKeyWDXUNFVYUDYDQA-UHFFFAOYSA-N
XLogP2.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-chloro-2,3-dihydro-1H-inden-1-ol (CID 22504804) is 5-chloro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-chloro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-chloro-2,3-dihydro-1H-inden-1-ol is OC1CCc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is WDXUNFVYUDYDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,9,11H,1,4H2.
What are the key properties of 5-chloro-2,3-dihydro-1H-inden-1-ol?
5-chloro-2,3-dihydro-1H-inden-1-ol has a molecular weight of 168.62 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 22504804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).