8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one

C11H11BrO — CID 62705257

IUPAC8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one
SMILESCc1ccc2c(c1Br)CC(=O)CC2
InChIInChI=1S/C11H11BrO/c1-7-2-3-8-4-5-9(13)6-10(8)11(7)12/h2-3H,4-6H2,1H3
InChIKeyMKJVWSBZAWQPQL-UHFFFAOYSA-N
MW239.11 g/mol
LogP2.82
Rot. Bonds

About 8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one

8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 62705257) has the molecular formula C11H11BrO and a molecular weight of 239.11 g/mol. Its IUPAC name is 8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one
PubChem CID62705257
Molecular FormulaC11H11BrO
Molecular Weight239.11 g/mol
Exact Mass238.00
IUPAC Name8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one
SMILESCc1ccc2c(c1Br)CC(=O)CC2
InChIInChI=1S/C11H11BrO/c1-7-2-3-8-4-5-9(13)6-10(8)11(7)12/h2-3H,4-6H2,1H3
InChIKeyMKJVWSBZAWQPQL-UHFFFAOYSA-N
XLogP2.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one (CID 62705257) is 8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one is Cc1ccc2c(c1Br)CC(=O)CC2.
What is the InChIKey of 8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is MKJVWSBZAWQPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO/c1-7-2-3-8-4-5-9(13)6-10(8)11(7)12/h2-3H,4-6H2,1H3.
What are the key properties of 8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one?
8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 239.11 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 62705257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).