6-chloro-2,3-dihydroinden-1-one

C9H7ClO — CID 5100705

IUPAC6-chloro-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(Cl)cc21
InChIInChI=1S/C9H7ClO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2
InChIKeySMSGJDOJSQHQIW-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.47
Rot. Bonds

About 6-chloro-2,3-dihydroinden-1-one

6-chloro-2,3-dihydroinden-1-one (PubChem CID 5100705) has the molecular formula C9H7ClO and a molecular weight of 166.61 g/mol. Its IUPAC name is 6-chloro-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-chloro-2,3-dihydroinden-1-one
PubChem CID5100705
Molecular FormulaC9H7ClO
Molecular Weight166.61 g/mol
Exact Mass166.02
IUPAC Name6-chloro-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(Cl)cc21
InChIInChI=1S/C9H7ClO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2
InChIKeySMSGJDOJSQHQIW-UHFFFAOYSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 7467
Clorindione
CID 70846
4'-Chloropropiophenone
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4-Chlorochalcone
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(2E)-3-(3-Chlorophenyl)-1-phenyl-2-propen-1-one
CID 5377023
2,4'-Dichloroacetophenone
CID 70298
Ethanone, 1-(3,4-dichlorophenyl)-
CID 75841
1-(3-Chlorophenyl)ethanone
CID 14933
3'-Chlorochalcone
CID 639084
5-Chloro-1-indanone
CID 142599
Ethanone, 1-(4-chlorophenyl)-2,2,2-trifluoro-
CID 67578
3'-Chloropropiophenone
CID 587128

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dihydroinden-1-one?
The IUPAC name of 6-chloro-2,3-dihydroinden-1-one (CID 5100705) is 6-chloro-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-chloro-2,3-dihydroinden-1-one?
The canonical SMILES for 6-chloro-2,3-dihydroinden-1-one is O=C1CCc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2,3-dihydroinden-1-one?
The InChIKey is SMSGJDOJSQHQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2.
What are the key properties of 6-chloro-2,3-dihydroinden-1-one?
6-chloro-2,3-dihydroinden-1-one has a molecular weight of 166.61 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dihydroinden-1-one is sourced from PubChem (CID 5100705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).