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

C16H13ClO — CID 125481885

IUPAC(2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one
SMILESO=C1c2cc(Cl)ccc2C[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H13ClO/c17-14-7-6-12-9-13(16(18)15(12)10-14)8-11-4-2-1-3-5-11/h1-7,10,13H,8-9H2/t13-/m0/s1
InChIKeyVTZPKJZMGARDFP-ZDUSSCGKSA-N
MW256.73 g/mol
LogP3.94
Rot. Bonds2

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

(2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one (PubChem CID 125481885) has the molecular formula C16H13ClO and a molecular weight of 256.73 g/mol. Its IUPAC name is (2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one
PubChem CID125481885
Molecular FormulaC16H13ClO
Molecular Weight256.73 g/mol
Exact Mass256.07
IUPAC Name(2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one
SMILESO=C1c2cc(Cl)ccc2C[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H13ClO/c17-14-7-6-12-9-13(16(18)15(12)10-14)8-11-4-2-1-3-5-11/h1-7,10,13H,8-9H2/t13-/m0/s1
InChIKeyVTZPKJZMGARDFP-ZDUSSCGKSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-6-hydroxy-2,3-dihydroinden-1-one
CID 19600781
2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one
CID 65316693
2-benzyl-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 10902071
(2S)-2-but-2-enyl-6-chloro-2,3-dihydroinden-1-one
CID 67713958
2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544000
2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544001
6-chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one
CID 164627977
2-[(4-tert-butylphenyl)methyl]-2,3-dihydroinden-1-one
CID 63399290
(2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one
CID 125481365
5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one
CID 141214813
2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid
CID 18424529
2-benzyl-6-chloro-1,3-dihydroisoquinolin-4-one
CID 13272466

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one?
The IUPAC name of (2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one (CID 125481885) is (2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one.
What is the SMILES notation for (2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one?
The canonical SMILES for (2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one is O=C1c2cc(Cl)ccc2C[C@@H]1Cc1ccccc1.
What is the InChIKey of (2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one?
The InChIKey is VTZPKJZMGARDFP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H13ClO/c17-14-7-6-12-9-13(16(18)15(12)10-14)8-11-4-2-1-3-5-11/h1-7,10,13H,8-9H2/t13-/m0/s1.
What are the key properties of (2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one?
(2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one has a molecular weight of 256.73 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one is sourced from PubChem (CID 125481885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).