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

C9H7ClO2 — CID 127255743

IUPAC5-chloro-7-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(Cl)cc(O)c21
InChIInChI=1S/C9H7ClO2/c10-6-3-5-1-2-7(11)9(5)8(12)4-6/h3-4,12H,1-2H2
InChIKeySPHSTHMDYUGVKJ-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.17
Rot. Bonds

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

5-chloro-7-hydroxy-2,3-dihydroinden-1-one (PubChem CID 127255743) has the molecular formula C9H7ClO2 and a molecular weight of 182.61 g/mol. Its IUPAC name is 5-chloro-7-hydroxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-chloro-7-hydroxy-2,3-dihydroinden-1-one
PubChem CID127255743
Molecular FormulaC9H7ClO2
Molecular Weight182.61 g/mol
Exact Mass182.01
IUPAC Name5-chloro-7-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(Cl)cc(O)c21
InChIInChI=1S/C9H7ClO2/c10-6-3-5-1-2-7(11)9(5)8(12)4-6/h3-4,12H,1-2H2
InChIKeySPHSTHMDYUGVKJ-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 5-chloro-7-hydroxy-2,3-dihydroinden-1-one?
The IUPAC name of 5-chloro-7-hydroxy-2,3-dihydroinden-1-one (CID 127255743) is 5-chloro-7-hydroxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-chloro-7-hydroxy-2,3-dihydroinden-1-one?
The canonical SMILES for 5-chloro-7-hydroxy-2,3-dihydroinden-1-one is O=C1CCc2cc(Cl)cc(O)c21.
What is the InChIKey of 5-chloro-7-hydroxy-2,3-dihydroinden-1-one?
The InChIKey is SPHSTHMDYUGVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2/c10-6-3-5-1-2-7(11)9(5)8(12)4-6/h3-4,12H,1-2H2.
What are the key properties of 5-chloro-7-hydroxy-2,3-dihydroinden-1-one?
5-chloro-7-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 5-chloro-7-hydroxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 127255743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).