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

C11H11ClO — CID 55297419

IUPAC7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1cc2c(cc1Cl)C(=O)CCC2
InChIInChI=1S/C11H11ClO/c1-7-5-8-3-2-4-11(13)9(8)6-10(7)12/h5-6H,2-4H2,1H3
InChIKeyHYPHYHOTQSFVGT-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.17
Rot. Bonds

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

7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 55297419) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID55297419
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1cc2c(cc1Cl)C(=O)CCC2
InChIInChI=1S/C11H11ClO/c1-7-5-8-3-2-4-11(13)9(8)6-10(7)12/h5-6H,2-4H2,1H3
InChIKeyHYPHYHOTQSFVGT-UHFFFAOYSA-N
XLogP3.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one (CID 55297419) is 7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one is Cc1cc2c(cc1Cl)C(=O)CCC2.
What is the InChIKey of 7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is HYPHYHOTQSFVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c1-7-5-8-3-2-4-11(13)9(8)6-10(7)12/h5-6H,2-4H2,1H3.
What are the key properties of 7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 194.66 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 55297419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).