(2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one

C15H11ClO2 — CID 155678093

IUPAC(2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2[C@H](O)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13-14,17H/t13-,14+/m1/s1
InChIKeyVWXRLBJXEHERMC-KGLIPLIRSA-N
MW258.70 g/mol
LogP3.35
Rot. Bonds1

About (2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one

(2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one (PubChem CID 155678093) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is (2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one
PubChem CID155678093
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name(2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2[C@H](O)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13-14,17H/t13-,14+/m1/s1
InChIKeyVWXRLBJXEHERMC-KGLIPLIRSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3-(4-chlorophenyl)-4-hydroxy-3,4-dihydroisoquinolin-1-one
CID 134869149
(2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one
CID 10534997
(2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one
CID 25171057
4-bromo-3-(4-chlorophenyl)-3,4-dihydroisochromen-1-one
CID 57332670
(3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one
CID 738147
2-[(4-chlorophenyl)iminomethyl]-3-phenyl-2,3-dihydroinden-1-one
CID 170912300
2-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxy-4H-naphthalen-1-one
CID 123603138
1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one
CID 86001889
ethyl (4S,4aR)-4-(4-chlorophenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6555377
4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one
CID 132948263
(2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one
CID 53475427
2-(4-chlorophenyl)-1,2-dihydronaphthalen-1-ol
CID 174973723

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one?
The IUPAC name of (2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one (CID 155678093) is (2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one.
What is the SMILES notation for (2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one?
The canonical SMILES for (2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one is O=C1c2ccccc2[C@H](O)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one?
The InChIKey is VWXRLBJXEHERMC-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H11ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13-14,17H/t13-,14+/m1/s1.
What are the key properties of (2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one?
(2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one has a molecular weight of 258.70 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 155678093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).