(2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one

C15H10Cl2O — CID 125481365

IUPAC(2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one
SMILESO=C1c2cc(Cl)ccc2C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2O/c16-11-4-1-9(2-5-11)13-7-10-3-6-12(17)8-14(10)15(13)18/h1-6,8,13H,7H2/t13-/m0/s1
InChIKeyHFUJEYGUMLKUQR-ZDUSSCGKSA-N
MW277.15 g/mol
LogP4.52
Rot. Bonds1

About (2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one

(2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one (PubChem CID 125481365) has the molecular formula C15H10Cl2O and a molecular weight of 277.15 g/mol. Its IUPAC name is (2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one
PubChem CID125481365
Molecular FormulaC15H10Cl2O
Molecular Weight277.15 g/mol
Exact Mass276.01
IUPAC Name(2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one
SMILESO=C1c2cc(Cl)ccc2C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2O/c16-11-4-1-9(2-5-11)13-7-10-3-6-12(17)8-14(10)15(13)18/h1-6,8,13H,7H2/t13-/m0/s1
InChIKeyHFUJEYGUMLKUQR-ZDUSSCGKSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-but-2-enyl-6-chloro-2,3-dihydroinden-1-one
CID 67713958
(2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one
CID 125481885
2-(4-methylphenyl)-2,3,6,7-tetrahydro-s-indacene-1,5-dione
CID 175561918
6-bromo-3-chloro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 82024126
(9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene
CID 144785467
(4Z)-6-chloro-4-hydroxyimino-2,3-dihydro-1H-naphthalene-2-carboxylic acid
CID 82159346
(3S)-7-chloro-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
CID 7464521
3-chloro-7-(methylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 54217358
5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one
CID 102058464
(2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one
CID 177207093
(3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione
CID 53466592
2-(2-fluorophenyl)-6-hydroxy-2,3-dihydroinden-1-one
CID 141285969

Frequently Asked Questions

What is the IUPAC name of (2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one?
The IUPAC name of (2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one (CID 125481365) is (2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for (2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for (2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one is O=C1c2cc(Cl)ccc2C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one?
The InChIKey is HFUJEYGUMLKUQR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H10Cl2O/c16-11-4-1-9(2-5-11)13-7-10-3-6-12(17)8-14(10)15(13)18/h1-6,8,13H,7H2/t13-/m0/s1.
What are the key properties of (2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one?
(2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one has a molecular weight of 277.15 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 125481365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).