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

C10H9ClO — CID 11019473

IUPAC4-chloro-6-methyl-2,3-dihydroinden-1-one
SMILESCc1cc(Cl)c2c(c1)C(=O)CC2
InChIInChI=1S/C10H9ClO/c1-6-4-8-7(9(11)5-6)2-3-10(8)12/h4-5H,2-3H2,1H3
InChIKeyRFSLFDJIWTWXAS-UHFFFAOYSA-N
MW180.63 g/mol
LogP2.78
Rot. Bonds

About 4-chloro-6-methyl-2,3-dihydroinden-1-one

4-chloro-6-methyl-2,3-dihydroinden-1-one (PubChem CID 11019473) has the molecular formula C10H9ClO and a molecular weight of 180.63 g/mol. Its IUPAC name is 4-chloro-6-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-chloro-6-methyl-2,3-dihydroinden-1-one
PubChem CID11019473
Molecular FormulaC10H9ClO
Molecular Weight180.63 g/mol
Exact Mass180.03
IUPAC Name4-chloro-6-methyl-2,3-dihydroinden-1-one
SMILESCc1cc(Cl)c2c(c1)C(=O)CC2
InChIInChI=1S/C10H9ClO/c1-6-4-8-7(9(11)5-6)2-3-10(8)12/h4-5H,2-3H2,1H3
InChIKeyRFSLFDJIWTWXAS-UHFFFAOYSA-N
XLogP2.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 4-chloro-6-methyl-2,3-dihydroinden-1-one (CID 11019473) is 4-chloro-6-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-chloro-6-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 4-chloro-6-methyl-2,3-dihydroinden-1-one is Cc1cc(Cl)c2c(c1)C(=O)CC2.
What is the InChIKey of 4-chloro-6-methyl-2,3-dihydroinden-1-one?
The InChIKey is RFSLFDJIWTWXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO/c1-6-4-8-7(9(11)5-6)2-3-10(8)12/h4-5H,2-3H2,1H3.
What are the key properties of 4-chloro-6-methyl-2,3-dihydroinden-1-one?
4-chloro-6-methyl-2,3-dihydroinden-1-one has a molecular weight of 180.63 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 11019473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).