4,5-dichloro-3-methyl-2,3-dihydroinden-1-one

C10H8Cl2O — CID 11600962

IUPAC4,5-dichloro-3-methyl-2,3-dihydroinden-1-one
SMILESCC1CC(=O)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C10H8Cl2O/c1-5-4-8(13)6-2-3-7(11)10(12)9(5)6/h2-3,5H,4H2,1H3
InChIKeyPZBTWSHSWYESHG-UHFFFAOYSA-N
MW215.08 g/mol
LogP3.68
Rot. Bonds

About 4,5-dichloro-3-methyl-2,3-dihydroinden-1-one

4,5-dichloro-3-methyl-2,3-dihydroinden-1-one (PubChem CID 11600962) has the molecular formula C10H8Cl2O and a molecular weight of 215.08 g/mol. Its IUPAC name is 4,5-dichloro-3-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4,5-dichloro-3-methyl-2,3-dihydroinden-1-one
PubChem CID11600962
Molecular FormulaC10H8Cl2O
Molecular Weight215.08 g/mol
Exact Mass214.00
IUPAC Name4,5-dichloro-3-methyl-2,3-dihydroinden-1-one
SMILESCC1CC(=O)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C10H8Cl2O/c1-5-4-8(13)6-2-3-7(11)10(12)9(5)6/h2-3,5H,4H2,1H3
InChIKeyPZBTWSHSWYESHG-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile
CID 19042303
6,7-dichloro-2-methyl-2,3-dihydroinden-1-one
CID 22173116
3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide
CID 19042291
4,5-dichloro-2,3-dihydroinden-1-one
CID 22903622
3-acetyl-5,6-dichloro-3,4-dihydroisochromen-1-one
CID 114517301
(2S)-6,7-dichloro-2-methyl-1-benzofuran-3-one
CID 98124000
(2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one
CID 146510847
4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one
CID 175465750
8-methoxy-1-methyl-1,2-dihydroindeno[4,5-b][1]benzothiol-3-one
CID 22004765
3-(2,3-dichlorophenyl)-2,3-dihydroinden-1-one
CID 59581979
4-chloro-7-[2-(1,3-dioxolan-2-yl)ethoxy]-3-methyl-2,3-dihydroinden-1-one
CID 86795301
6,7-dichloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine
CID 11447912

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-3-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 4,5-dichloro-3-methyl-2,3-dihydroinden-1-one (CID 11600962) is 4,5-dichloro-3-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4,5-dichloro-3-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 4,5-dichloro-3-methyl-2,3-dihydroinden-1-one is CC1CC(=O)c2ccc(Cl)c(Cl)c21.
What is the InChIKey of 4,5-dichloro-3-methyl-2,3-dihydroinden-1-one?
The InChIKey is PZBTWSHSWYESHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O/c1-5-4-8(13)6-2-3-7(11)10(12)9(5)6/h2-3,5H,4H2,1H3.
What are the key properties of 4,5-dichloro-3-methyl-2,3-dihydroinden-1-one?
4,5-dichloro-3-methyl-2,3-dihydroinden-1-one has a molecular weight of 215.08 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-3-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 11600962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).