1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one

C15H10Cl2O — CID 4778105

IUPAC1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one
SMILESO=C1Cc2ccccc2C1c1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2O/c16-11-6-3-7-12(17)15(11)14-10-5-2-1-4-9(10)8-13(14)18/h1-7,14H,8H2
InChIKeyJIIHVBGBOBRCOX-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.25
Rot. Bonds1

About 1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one

1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one (PubChem CID 4778105) has the molecular formula C15H10Cl2O and a molecular weight of 277.15 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one
PubChem CID4778105
Molecular FormulaC15H10Cl2O
Molecular Weight277.15 g/mol
Exact Mass276.01
IUPAC Name1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one
SMILESO=C1Cc2ccccc2C1c1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2O/c16-11-6-3-7-12(17)15(11)14-10-5-2-1-4-9(10)8-13(14)18/h1-7,14H,8H2
InChIKeyJIIHVBGBOBRCOX-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-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

1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 2867658
3,10-dichloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 4224088
(1S,8S)-3,10-dichloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 95564315
CID 58620221
CID 58620221
4-amino-5-chloro-3,4-dihydro-1H-naphthalen-2-one
CID 55263652
(1R)-1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 737010
ethane;1-methyl-1,3-dihydroinden-2-one
CID 91072401
CID 177157547
CID 177157547
(1S)-3-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-one
CID 89408441
trans-(1R,2R)-2-(2,6-dichlorophenyl)cyclopropane-1-carboxamide
CID 95860606
2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84737389
ethane;bis(pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene)
CID 167587825

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one (CID 4778105) is 1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one is O=C1Cc2ccccc2C1c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one?
The InChIKey is JIIHVBGBOBRCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O/c16-11-6-3-7-12(17)15(11)14-10-5-2-1-4-9(10)8-13(14)18/h1-7,14H,8H2.
What are the key properties of 1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one?
1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one has a molecular weight of 277.15 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one is sourced from PubChem (CID 4778105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).