6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one

C11H10Cl2O — CID 139984515

IUPAC6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1CCc2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C11H10Cl2O/c1-6-2-3-7-4-9(12)10(13)5-8(7)11(6)14/h4-6H,2-3H2,1H3
InChIKeyZXNUPJASXSQMOE-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.76
Rot. Bonds

About 6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one

6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 139984515) has the molecular formula C11H10Cl2O and a molecular weight of 229.11 g/mol. Its IUPAC name is 6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID139984515
Molecular FormulaC11H10Cl2O
Molecular Weight229.11 g/mol
Exact Mass228.01
IUPAC Name6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1CCc2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C11H10Cl2O/c1-6-2-3-7-4-9(12)10(13)5-8(7)11(6)14/h4-6H,2-3H2,1H3
InChIKeyZXNUPJASXSQMOE-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione
CID 143073531
2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one
CID 14976596
6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10334429
6,7-dichloro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 150751811
(2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione
CID 6977247
2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one
CID 21146145
2-(5,6-dichloro-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde
CID 19036426
9-chloro-4-methyl-3,4-dihydro-2H-phenanthren-1-one
CID 115417439
(3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one
CID 14940541
8-chloro-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 139984587
(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 95431927
1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one
CID 121015503

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one (CID 139984515) is 6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one is CC1CCc2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of 6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ZXNUPJASXSQMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O/c1-6-2-3-7-4-9(12)10(13)5-8(7)11(6)14/h4-6H,2-3H2,1H3.
What are the key properties of 6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one?
6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 229.11 g/mol, XLogP of 3.76, 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-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 139984515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).