5-hydroxy-6-methyl-2,3-dihydroinden-1-one;trichloroalumane

C10H10AlCl3O2 — CID 158655630

IUPAC5-hydroxy-6-methyl-2,3-dihydroinden-1-one;trichloroalumane
SMILESCc1cc2c(cc1O)CCC2=O.Cl[Al](Cl)Cl
InChIInChI=1S/C10H10O2.Al.3ClH/c1-6-4-8-7(5-10(6)12)2-3-9(8)11;;;;/h4-5,12H,2-3H2,1H3;;3*1H/q;+3;;;/p-3
InChIKeyICCFOJWWMAZLJK-UHFFFAOYSA-K
MW295.53 g/mol
LogP3.52
Rot. Bonds

About 5-hydroxy-6-methyl-2,3-dihydroinden-1-one;trichloroalumane

5-hydroxy-6-methyl-2,3-dihydroinden-1-one;trichloroalumane (PubChem CID 158655630) has the molecular formula C10H10AlCl3O2 and a molecular weight of 295.53 g/mol. Its IUPAC name is 5-hydroxy-6-methyl-2,3-dihydroinden-1-one;trichloroalumane.

Molecular Properties

Compound Name5-hydroxy-6-methyl-2,3-dihydroinden-1-one;trichloroalumane
PubChem CID158655630
Molecular FormulaC10H10AlCl3O2
Molecular Weight295.53 g/mol
Exact Mass293.96
IUPAC Name5-hydroxy-6-methyl-2,3-dihydroinden-1-one;trichloroalumane
SMILESCc1cc2c(cc1O)CCC2=O.Cl[Al](Cl)Cl
InChIInChI=1S/C10H10O2.Al.3ClH/c1-6-4-8-7(5-10(6)12)2-3-9(8)11;;;;/h4-5,12H,2-3H2,1H3;;3*1H/q;+3;;;/p-3
InChIKeyICCFOJWWMAZLJK-UHFFFAOYSA-K
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-diethyl-2,3-dihydroinden-1-one
CID 22238300
7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 55297419
ethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one
CID 91171683
6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one
CID 154230335
5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol
CID 136592041
5,6-dimethylindene-1,3-dione
CID 15140857
7,8-dihydrocyclopenta[g]quinoxalin-6-one
CID 55297307
5-chloro-7-hydroxy-2,3-dihydroinden-1-one
CID 127255743
6-hydroxy-5-methyl-2,3-dihydroinden-1-one;(3E)-6-methyl-3-[(4-nitrophenyl)methoxyimino]-1,2-dihydroinden-5-ol;O-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride
CID 172971331
2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 115483109
1-(6-hydroxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 14338804
6-nitroso-2,3-dihydroinden-1-one
CID 175309982

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methyl-2,3-dihydroinden-1-one;trichloroalumane?
The IUPAC name of 5-hydroxy-6-methyl-2,3-dihydroinden-1-one;trichloroalumane (CID 158655630) is 5-hydroxy-6-methyl-2,3-dihydroinden-1-one;trichloroalumane.
What is the SMILES notation for 5-hydroxy-6-methyl-2,3-dihydroinden-1-one;trichloroalumane?
The canonical SMILES for 5-hydroxy-6-methyl-2,3-dihydroinden-1-one;trichloroalumane is Cc1cc2c(cc1O)CCC2=O.Cl[Al](Cl)Cl.
What is the InChIKey of 5-hydroxy-6-methyl-2,3-dihydroinden-1-one;trichloroalumane?
The InChIKey is ICCFOJWWMAZLJK-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H10O2.Al.3ClH/c1-6-4-8-7(5-10(6)12)2-3-9(8)11;;;;/h4-5,12H,2-3H2,1H3;;3*1H/q;+3;;;/p-3.
What are the key properties of 5-hydroxy-6-methyl-2,3-dihydroinden-1-one;trichloroalumane?
5-hydroxy-6-methyl-2,3-dihydroinden-1-one;trichloroalumane has a molecular weight of 295.53 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methyl-2,3-dihydroinden-1-one;trichloroalumane is sourced from PubChem (CID 158655630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).