3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one

C15H10Cl2O — CID 3018924

IUPAC3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one
SMILESO=C1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C15H10Cl2O/c16-13-6-5-9(7-14(13)17)12-8-15(18)11-4-2-1-3-10(11)12/h1-7,12H,8H2
InChIKeyKNKXPMHZNDQQHO-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.71
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one

3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one (PubChem CID 3018924) has the molecular formula C15H10Cl2O and a molecular weight of 277.15 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one
PubChem CID3018924
Molecular FormulaC15H10Cl2O
Molecular Weight277.15 g/mol
Exact Mass276.01
IUPAC Name3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one
SMILESO=C1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C15H10Cl2O/c16-13-6-5-9(7-14(13)17)12-8-15(18)11-4-2-1-3-10(11)12/h1-7,12H,8H2
InChIKeyKNKXPMHZNDQQHO-UHFFFAOYSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one (CID 3018924) is 3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one is O=C1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one?
The InChIKey is KNKXPMHZNDQQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O/c16-13-6-5-9(7-14(13)17)12-8-15(18)11-4-2-1-3-10(11)12/h1-7,12H,8H2.
What are the key properties of 3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one?
3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one has a molecular weight of 277.15 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 3018924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).