7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one

C13H15ClO — CID 115417433

IUPAC7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1cc(Cl)c(C)c2c1C(C)CCC2=O
InChIInChI=1S/C13H15ClO/c1-7-4-5-11(15)13-9(3)10(14)6-8(2)12(7)13/h6-7H,4-5H2,1-3H3
InChIKeyLNVGQMXIBCIGMA-UHFFFAOYSA-N
MW222.71 g/mol
LogP4.04
Rot. Bonds

About 7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one

7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 115417433) has the molecular formula C13H15ClO and a molecular weight of 222.71 g/mol. Its IUPAC name is 7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID115417433
Molecular FormulaC13H15ClO
Molecular Weight222.71 g/mol
Exact Mass222.08
IUPAC Name7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1cc(Cl)c(C)c2c1C(C)CCC2=O
InChIInChI=1S/C13H15ClO/c1-7-4-5-11(15)13-9(3)10(14)6-8(2)12(7)13/h6-7H,4-5H2,1-3H3
InChIKeyLNVGQMXIBCIGMA-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.71
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one (CID 115417433) is 7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one is Cc1cc(Cl)c(C)c2c1C(C)CCC2=O.
What is the InChIKey of 7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is LNVGQMXIBCIGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/c1-7-4-5-11(15)13-9(3)10(14)6-8(2)12(7)13/h6-7H,4-5H2,1-3H3.
What are the key properties of 7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one?
7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 222.71 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 115417433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).