6,7-dichloro-2-methyl-2,3-dihydroinden-1-one

C10H8Cl2O — CID 22173116

IUPAC6,7-dichloro-2-methyl-2,3-dihydroinden-1-one
SMILESCC1Cc2ccc(Cl)c(Cl)c2C1=O
InChIInChI=1S/C10H8Cl2O/c1-5-4-6-2-3-7(11)9(12)8(6)10(5)13/h2-3,5H,4H2,1H3
InChIKeyZRUMTPPMBRXVPA-UHFFFAOYSA-N
MW215.08 g/mol
LogP3.37
Rot. Bonds

About 6,7-dichloro-2-methyl-2,3-dihydroinden-1-one

6,7-dichloro-2-methyl-2,3-dihydroinden-1-one (PubChem CID 22173116) has the molecular formula C10H8Cl2O and a molecular weight of 215.08 g/mol. Its IUPAC name is 6,7-dichloro-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6,7-dichloro-2-methyl-2,3-dihydroinden-1-one
PubChem CID22173116
Molecular FormulaC10H8Cl2O
Molecular Weight215.08 g/mol
Exact Mass214.00
IUPAC Name6,7-dichloro-2-methyl-2,3-dihydroinden-1-one
SMILESCC1Cc2ccc(Cl)c(Cl)c2C1=O
InChIInChI=1S/C10H8Cl2O/c1-5-4-6-2-3-7(11)9(12)8(6)10(5)13/h2-3,5H,4H2,1H3
InChIKeyZRUMTPPMBRXVPA-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Chloro-1-indanone
CID 142599
2,7-Dichloro-9-fluorenone
CID 80527
5-(3,4-Dichlorophenyl)-3,3-dimethylindan-1-one
CID 45483819
1-(2,3-Dichlorophenyl)ethan-1-one
CID 91986
6-Chloro-1-indanone
CID 5100705
4-chloro-2,3-dihydro-1H-inden-1-one
CID 11332681
5-chloro-2-methylidene-3H-inden-1-one
CID 118714897
2-Chloro-9H-fluoren-9-one
CID 18354
1-(3,4-Dichlorophenyl)-1-propanone
CID 599598
3-(3,4-Dichlorophenyl)indan-1-one
CID 3018924
1,3-Indandione, 5-chloro-2-phenyl-
CID 121117
4-Chloro-2-phenyl-1H-indene-1,3(2H)-dione
CID 121510

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 6,7-dichloro-2-methyl-2,3-dihydroinden-1-one (CID 22173116) is 6,7-dichloro-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 6,7-dichloro-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 6,7-dichloro-2-methyl-2,3-dihydroinden-1-one is CC1Cc2ccc(Cl)c(Cl)c2C1=O.
What is the InChIKey of 6,7-dichloro-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is ZRUMTPPMBRXVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O/c1-5-4-6-2-3-7(11)9(12)8(6)10(5)13/h2-3,5H,4H2,1H3.
What are the key properties of 6,7-dichloro-2-methyl-2,3-dihydroinden-1-one?
6,7-dichloro-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 215.08 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 22173116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).