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

C10H9ClO2 — CID 46835650

IUPAC6-chloro-5-methoxy-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1Cl)C(=O)CC2
InChIInChI=1S/C10H9ClO2/c1-13-10-4-6-2-3-9(12)7(6)5-8(10)11/h4-5H,2-3H2,1H3
InChIKeyLQTCWWPSORPTSP-UHFFFAOYSA-N
MW196.63 g/mol
LogP2.48
Rot. Bonds1

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

6-chloro-5-methoxy-2,3-dihydroinden-1-one (PubChem CID 46835650) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is 6-chloro-5-methoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-chloro-5-methoxy-2,3-dihydroinden-1-one
PubChem CID46835650
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name6-chloro-5-methoxy-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1Cl)C(=O)CC2
InChIInChI=1S/C10H9ClO2/c1-13-10-4-6-2-3-9(12)7(6)5-8(10)11/h4-5H,2-3H2,1H3
InChIKeyLQTCWWPSORPTSP-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

Analyze 6-chloro-5-methoxy-2,3-dihydroinden-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methoxyindan-1-one
CID 78787
3'-Chloro-4'-methoxyacetophenone
CID 520857
5-methoxy-2-methylidene-3H-inden-1-one
CID 11126767
(2E)-2-[(3,5-dichlorophenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one
CID 5469761
5-Chloro-6-methoxy-1-indanone
CID 10921476
4-Chloro-5-methoxy-2,3-dihydro-1H-inden-1-one
CID 24778124
2-Chloro-1-(3-chloro-4-methoxyphenyl)ethan-1-one
CID 4962268
(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
CID 10798044
Methyl 4-(3-chloro-4-methoxyphenyl)-4-oxobutanoate
CID 24982143

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-2,3-dihydroinden-1-one?
The IUPAC name of 6-chloro-5-methoxy-2,3-dihydroinden-1-one (CID 46835650) is 6-chloro-5-methoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-chloro-5-methoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 6-chloro-5-methoxy-2,3-dihydroinden-1-one is COc1cc2c(cc1Cl)C(=O)CC2.
What is the InChIKey of 6-chloro-5-methoxy-2,3-dihydroinden-1-one?
The InChIKey is LQTCWWPSORPTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c1-13-10-4-6-2-3-9(12)7(6)5-8(10)11/h4-5H,2-3H2,1H3.
What are the key properties of 6-chloro-5-methoxy-2,3-dihydroinden-1-one?
6-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 6-chloro-5-methoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 46835650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).