7-chloro-5-hydroxy-2,3-dihydroinden-1-one

C9H7ClO2 — CID 55267279

IUPAC7-chloro-5-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(O)cc(Cl)c21
InChIInChI=1S/C9H7ClO2/c10-7-4-6(11)3-5-1-2-8(12)9(5)7/h3-4,11H,1-2H2
InChIKeyKDRCVDSYTJRFMF-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.17
Rot. Bonds

About 7-chloro-5-hydroxy-2,3-dihydroinden-1-one

7-chloro-5-hydroxy-2,3-dihydroinden-1-one (PubChem CID 55267279) has the molecular formula C9H7ClO2 and a molecular weight of 182.61 g/mol. Its IUPAC name is 7-chloro-5-hydroxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-chloro-5-hydroxy-2,3-dihydroinden-1-one
PubChem CID55267279
Molecular FormulaC9H7ClO2
Molecular Weight182.61 g/mol
Exact Mass182.01
IUPAC Name7-chloro-5-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(O)cc(Cl)c21
InChIInChI=1S/C9H7ClO2/c10-7-4-6(11)3-5-1-2-8(12)9(5)7/h3-4,11H,1-2H2
InChIKeyKDRCVDSYTJRFMF-UHFFFAOYSA-N
XLogP2.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-hydroxy-2,3-dihydroinden-1-one?
The IUPAC name of 7-chloro-5-hydroxy-2,3-dihydroinden-1-one (CID 55267279) is 7-chloro-5-hydroxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-chloro-5-hydroxy-2,3-dihydroinden-1-one?
The canonical SMILES for 7-chloro-5-hydroxy-2,3-dihydroinden-1-one is O=C1CCc2cc(O)cc(Cl)c21.
What is the InChIKey of 7-chloro-5-hydroxy-2,3-dihydroinden-1-one?
The InChIKey is KDRCVDSYTJRFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2/c10-7-4-6(11)3-5-1-2-8(12)9(5)7/h3-4,11H,1-2H2.
What are the key properties of 7-chloro-5-hydroxy-2,3-dihydroinden-1-one?
7-chloro-5-hydroxy-2,3-dihydroinden-1-one has a molecular weight of 182.61 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-hydroxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 55267279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).