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

C10H9ClO2 — CID 24778124

IUPAC4-chloro-5-methoxy-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1Cl)CCC2=O
InChIInChI=1S/C10H9ClO2/c1-13-9-5-3-6-7(10(9)11)2-4-8(6)12/h3,5H,2,4H2,1H3
InChIKeyRNDMOLOBKVJEMH-UHFFFAOYSA-N
MW196.63 g/mol
LogP2.48
Rot. Bonds1

About 4-chloro-5-methoxy-2,3-dihydroinden-1-one

4-chloro-5-methoxy-2,3-dihydroinden-1-one (PubChem CID 24778124) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-chloro-5-methoxy-2,3-dihydroinden-1-one
PubChem CID24778124
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name4-chloro-5-methoxy-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1Cl)CCC2=O
InChIInChI=1S/C10H9ClO2/c1-13-9-5-3-6-7(10(9)11)2-4-8(6)12/h3,5H,2,4H2,1H3
InChIKeyRNDMOLOBKVJEMH-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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CID 11126767
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CID 134612050
(E)-2-(3-Chlorobenzylidene)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
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2-Ethyl-4,5-dichloro-6-methoxyindan-1,3-dione
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1-(3-Chloro-4-methoxyphenyl)propan-1-one
CID 10798044
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-2,3-dihydroinden-1-one?
The IUPAC name of 4-chloro-5-methoxy-2,3-dihydroinden-1-one (CID 24778124) is 4-chloro-5-methoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-chloro-5-methoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 4-chloro-5-methoxy-2,3-dihydroinden-1-one is COc1ccc2c(c1Cl)CCC2=O.
What is the InChIKey of 4-chloro-5-methoxy-2,3-dihydroinden-1-one?
The InChIKey is RNDMOLOBKVJEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c1-13-9-5-3-6-7(10(9)11)2-4-8(6)12/h3,5H,2,4H2,1H3.
What are the key properties of 4-chloro-5-methoxy-2,3-dihydroinden-1-one?
4-chloro-5-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 4-chloro-5-methoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 24778124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).