3-bromo-6,8-dimethyl-1,2-dihydronaphthalene

C12H13Br — CID 22176454

IUPAC3-bromo-6,8-dimethyl-1,2-dihydronaphthalene
SMILESCc1cc(C)c2c(c1)C=C(Br)CC2
InChIInChI=1S/C12H13Br/c1-8-5-9(2)12-4-3-11(13)7-10(12)6-8/h5-7H,3-4H2,1-2H3
InChIKeyRXOWUUMYGRPGCN-UHFFFAOYSA-N
MW237.14 g/mol
LogP3.99
Rot. Bonds

About 3-bromo-6,8-dimethyl-1,2-dihydronaphthalene

3-bromo-6,8-dimethyl-1,2-dihydronaphthalene (PubChem CID 22176454) has the molecular formula C12H13Br and a molecular weight of 237.14 g/mol. Its IUPAC name is 3-bromo-6,8-dimethyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-bromo-6,8-dimethyl-1,2-dihydronaphthalene
PubChem CID22176454
Molecular FormulaC12H13Br
Molecular Weight237.14 g/mol
Exact Mass236.02
IUPAC Name3-bromo-6,8-dimethyl-1,2-dihydronaphthalene
SMILESCc1cc(C)c2c(c1)C=C(Br)CC2
InChIInChI=1S/C12H13Br/c1-8-5-9(2)12-4-3-11(13)7-10(12)6-8/h5-7H,3-4H2,1-2H3
InChIKeyRXOWUUMYGRPGCN-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6,8-dimethyl-1,2-dihydronaphthalene?
The IUPAC name of 3-bromo-6,8-dimethyl-1,2-dihydronaphthalene (CID 22176454) is 3-bromo-6,8-dimethyl-1,2-dihydronaphthalene.
What is the SMILES notation for 3-bromo-6,8-dimethyl-1,2-dihydronaphthalene?
The canonical SMILES for 3-bromo-6,8-dimethyl-1,2-dihydronaphthalene is Cc1cc(C)c2c(c1)C=C(Br)CC2.
What is the InChIKey of 3-bromo-6,8-dimethyl-1,2-dihydronaphthalene?
The InChIKey is RXOWUUMYGRPGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br/c1-8-5-9(2)12-4-3-11(13)7-10(12)6-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-bromo-6,8-dimethyl-1,2-dihydronaphthalene?
3-bromo-6,8-dimethyl-1,2-dihydronaphthalene has a molecular weight of 237.14 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6,8-dimethyl-1,2-dihydronaphthalene is sourced from PubChem (CID 22176454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).