(2S)-6,7-dichloro-5-hydroxy-2-propyl-2,3-dihydroinden-1-one

C12H12Cl2O2 — CID 86318563

IUPAC(2S)-6,7-dichloro-5-hydroxy-2-propyl-2,3-dihydroinden-1-one
SMILESCCC[C@H]1Cc2cc(O)c(Cl)c(Cl)c2C1=O
InChIInChI=1S/C12H12Cl2O2/c1-2-3-6-4-7-5-8(15)10(13)11(14)9(7)12(6)16/h5-6,15H,2-4H2,1H3/t6-/m0/s1
InChIKeyJVIURHJLQOAEEY-LURJTMIESA-N
MW259.13 g/mol
LogP3.85
Rot. Bonds2

About (2S)-6,7-dichloro-5-hydroxy-2-propyl-2,3-dihydroinden-1-one

(2S)-6,7-dichloro-5-hydroxy-2-propyl-2,3-dihydroinden-1-one (PubChem CID 86318563) has the molecular formula C12H12Cl2O2 and a molecular weight of 259.13 g/mol. Its IUPAC name is (2S)-6,7-dichloro-5-hydroxy-2-propyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2S)-6,7-dichloro-5-hydroxy-2-propyl-2,3-dihydroinden-1-one
PubChem CID86318563
Molecular FormulaC12H12Cl2O2
Molecular Weight259.13 g/mol
Exact Mass258.02
IUPAC Name(2S)-6,7-dichloro-5-hydroxy-2-propyl-2,3-dihydroinden-1-one
SMILESCCC[C@H]1Cc2cc(O)c(Cl)c(Cl)c2C1=O
InChIInChI=1S/C12H12Cl2O2/c1-2-3-6-4-7-5-8(15)10(13)11(14)9(7)12(6)16/h5-6,15H,2-4H2,1H3/t6-/m0/s1
InChIKeyJVIURHJLQOAEEY-LURJTMIESA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2E)-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxy-3H-inden-1-one
CID 134140944
5,6-dichloro-7-hydroxy-9a-propyl-2,9-dihydro-1H-fluoren-3-one
CID 13613335
2-Ethyl-4,5-dichloro-6-methoxyindan-1,3-dione
CID 21516783
6,7-Dichloro-5-hydroxy-2-methyl-2-phenylindan-1-one
CID 93690
7-Chloro-2,3-dihydro-5-hydroxy-1H-inden-1-one
CID 55267279
6-chloro-5-hydroxy-2,3-dihydro-1H-inden-1-one
CID 129917876
1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone
CID 605151
1-(2,3-Dichloro-4-hydroxyphenyl)butan-1-one
CID 14099856
2,3-Dichloro-4-(4-hydroxybenzoyl)phenol
CID 13409032
2-Phenyl-5-methoxy-6,7-dichloro-1-indanone
CID 10990444
6,7-dichloro-5-methoxy-2,3-dihydro-1H-inden-1-one
CID 12806958
6,7-Dichloro-2,3-dihydro-5-methoxy-2-propyl-1H-inden-1-one
CID 13613323

Frequently Asked Questions

What is the IUPAC name of (2S)-6,7-dichloro-5-hydroxy-2-propyl-2,3-dihydroinden-1-one?
The IUPAC name of (2S)-6,7-dichloro-5-hydroxy-2-propyl-2,3-dihydroinden-1-one (CID 86318563) is (2S)-6,7-dichloro-5-hydroxy-2-propyl-2,3-dihydroinden-1-one.
What is the SMILES notation for (2S)-6,7-dichloro-5-hydroxy-2-propyl-2,3-dihydroinden-1-one?
The canonical SMILES for (2S)-6,7-dichloro-5-hydroxy-2-propyl-2,3-dihydroinden-1-one is CCC[C@H]1Cc2cc(O)c(Cl)c(Cl)c2C1=O.
What is the InChIKey of (2S)-6,7-dichloro-5-hydroxy-2-propyl-2,3-dihydroinden-1-one?
The InChIKey is JVIURHJLQOAEEY-LURJTMIESA-N. The full InChI is InChI=1S/C12H12Cl2O2/c1-2-3-6-4-7-5-8(15)10(13)11(14)9(7)12(6)16/h5-6,15H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-6,7-dichloro-5-hydroxy-2-propyl-2,3-dihydroinden-1-one?
(2S)-6,7-dichloro-5-hydroxy-2-propyl-2,3-dihydroinden-1-one has a molecular weight of 259.13 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6,7-dichloro-5-hydroxy-2-propyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 86318563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).