7-chloro-6-methoxy-2-methyl-2,3-dihydroinden-1-one

C11H11ClO2 — CID 22173315

IUPAC7-chloro-6-methoxy-2-methyl-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1Cl)C(=O)C(C)C2
InChIInChI=1S/C11H11ClO2/c1-6-5-7-3-4-8(14-2)10(12)9(7)11(6)13/h3-4,6H,5H2,1-2H3
InChIKeyWZVJCCBQCPZAPF-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.72
Rot. Bonds1

About 7-chloro-6-methoxy-2-methyl-2,3-dihydroinden-1-one

7-chloro-6-methoxy-2-methyl-2,3-dihydroinden-1-one (PubChem CID 22173315) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 7-chloro-6-methoxy-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-chloro-6-methoxy-2-methyl-2,3-dihydroinden-1-one
PubChem CID22173315
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name7-chloro-6-methoxy-2-methyl-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1Cl)C(=O)C(C)C2
InChIInChI=1S/C11H11ClO2/c1-6-5-7-3-4-8(14-2)10(12)9(7)11(6)13/h3-4,6H,5H2,1-2H3
InChIKeyWZVJCCBQCPZAPF-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methoxy-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 7-chloro-6-methoxy-2-methyl-2,3-dihydroinden-1-one (CID 22173315) is 7-chloro-6-methoxy-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-chloro-6-methoxy-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 7-chloro-6-methoxy-2-methyl-2,3-dihydroinden-1-one is COc1ccc2c(c1Cl)C(=O)C(C)C2.
What is the InChIKey of 7-chloro-6-methoxy-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is WZVJCCBQCPZAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-6-5-7-3-4-8(14-2)10(12)9(7)11(6)13/h3-4,6H,5H2,1-2H3.
What are the key properties of 7-chloro-6-methoxy-2-methyl-2,3-dihydroinden-1-one?
7-chloro-6-methoxy-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 210.66 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methoxy-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 22173315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).