6,7-dibromo-2,4-dimethylnaphthalen-1-ol

C12H10Br2O — CID 25111864

IUPAC6,7-dibromo-2,4-dimethylnaphthalen-1-ol
SMILESCc1cc(C)c2cc(Br)c(Br)cc2c1O
InChIInChI=1S/C12H10Br2O/c1-6-3-7(2)12(15)9-5-11(14)10(13)4-8(6)9/h3-5,15H,1-2H3
InChIKeyJNALDIKTBUYRKS-UHFFFAOYSA-N
MW330.02 g/mol
LogP4.69
Rot. Bonds

About 6,7-dibromo-2,4-dimethylnaphthalen-1-ol

6,7-dibromo-2,4-dimethylnaphthalen-1-ol (PubChem CID 25111864) has the molecular formula C12H10Br2O and a molecular weight of 330.02 g/mol. Its IUPAC name is 6,7-dibromo-2,4-dimethylnaphthalen-1-ol.

Molecular Properties

Compound Name6,7-dibromo-2,4-dimethylnaphthalen-1-ol
PubChem CID25111864
Molecular FormulaC12H10Br2O
Molecular Weight330.02 g/mol
Exact Mass327.91
IUPAC Name6,7-dibromo-2,4-dimethylnaphthalen-1-ol
SMILESCc1cc(C)c2cc(Br)c(Br)cc2c1O
InChIInChI=1S/C12H10Br2O/c1-6-3-7(2)12(15)9-5-11(14)10(13)4-8(6)9/h3-5,15H,1-2H3
InChIKeyJNALDIKTBUYRKS-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.02
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-dibromo-2,4-dimethylnaphthalen-1-ol?
The IUPAC name of 6,7-dibromo-2,4-dimethylnaphthalen-1-ol (CID 25111864) is 6,7-dibromo-2,4-dimethylnaphthalen-1-ol.
What is the SMILES notation for 6,7-dibromo-2,4-dimethylnaphthalen-1-ol?
The canonical SMILES for 6,7-dibromo-2,4-dimethylnaphthalen-1-ol is Cc1cc(C)c2cc(Br)c(Br)cc2c1O.
What is the InChIKey of 6,7-dibromo-2,4-dimethylnaphthalen-1-ol?
The InChIKey is JNALDIKTBUYRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2O/c1-6-3-7(2)12(15)9-5-11(14)10(13)4-8(6)9/h3-5,15H,1-2H3.
What are the key properties of 6,7-dibromo-2,4-dimethylnaphthalen-1-ol?
6,7-dibromo-2,4-dimethylnaphthalen-1-ol has a molecular weight of 330.02 g/mol, XLogP of 4.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibromo-2,4-dimethylnaphthalen-1-ol is sourced from PubChem (CID 25111864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).