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

C10H9ClO2 — CID 10921476

IUPAC5-chloro-6-methoxy-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1Cl)CCC2=O
InChIInChI=1S/C10H9ClO2/c1-13-10-5-7-6(4-8(10)11)2-3-9(7)12/h4-5H,2-3H2,1H3
InChIKeyXIUZEIYKEBEXIB-UHFFFAOYSA-N
MW196.63 g/mol
LogP2.48
Rot. Bonds1

About 5-chloro-6-methoxy-2,3-dihydroinden-1-one

5-chloro-6-methoxy-2,3-dihydroinden-1-one (PubChem CID 10921476) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is 5-chloro-6-methoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-chloro-6-methoxy-2,3-dihydroinden-1-one
PubChem CID10921476
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name5-chloro-6-methoxy-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1Cl)CCC2=O
InChIInChI=1S/C10H9ClO2/c1-13-10-5-7-6(4-8(10)11)2-3-9(7)12/h4-5H,2-3H2,1H3
InChIKeyXIUZEIYKEBEXIB-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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6-methoxy-2-methylidene-3H-inden-1-one
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4-Chloro-5-methoxy-2,3-dihydro-1H-inden-1-one
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CID 134612047
(E)-2-(3-Chlorobenzylidene)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
CID 20638651
(1-Oxo-2-ethyl-6-chloro-5-indanyloxy)acetic acid
CID 20373854
2-Ethyl-4,5-dichloro-6-methoxyindan-1,3-dione
CID 21516783
1-(3-Chloro-4-methoxyphenyl)propan-1-one
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Acetic acid, 2,2'-((3,6-dichloro-9-oxo-9H-fluorene-2,7-diyl)bis(oxy))bis-, dipropyl ester
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methoxy-2,3-dihydroinden-1-one?
The IUPAC name of 5-chloro-6-methoxy-2,3-dihydroinden-1-one (CID 10921476) is 5-chloro-6-methoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-chloro-6-methoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 5-chloro-6-methoxy-2,3-dihydroinden-1-one is COc1cc2c(cc1Cl)CCC2=O.
What is the InChIKey of 5-chloro-6-methoxy-2,3-dihydroinden-1-one?
The InChIKey is XIUZEIYKEBEXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c1-13-10-5-7-6(4-8(10)11)2-3-9(7)12/h4-5H,2-3H2,1H3.
What are the key properties of 5-chloro-6-methoxy-2,3-dihydroinden-1-one?
5-chloro-6-methoxy-2,3-dihydroinden-1-one has a molecular weight of 196.63 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 10921476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).