2-bromo-6-methylnaphthalene;6-bromonaphthalen-2-ol

C21H16Br2O — CID 161075260

IUPAC2-bromo-6-methylnaphthalene;6-bromonaphthalen-2-ol
SMILESCc1ccc2cc(Br)ccc2c1.Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C11H9Br.C10H7BrO/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;11-9-3-1-8-6-10(12)4-2-7(8)5-9/h2-7H,1H3;1-6,12H
InChIKeyUFELGFZBYNAWQS-UHFFFAOYSA-N
MW444.17 g/mol
LogP7.22
Rot. Bonds

About 2-bromo-6-methylnaphthalene;6-bromonaphthalen-2-ol

2-bromo-6-methylnaphthalene;6-bromonaphthalen-2-ol (PubChem CID 161075260) has the molecular formula C21H16Br2O and a molecular weight of 444.17 g/mol. Its IUPAC name is 2-bromo-6-methylnaphthalene;6-bromonaphthalen-2-ol.

Molecular Properties

Compound Name2-bromo-6-methylnaphthalene;6-bromonaphthalen-2-ol
PubChem CID161075260
Molecular FormulaC21H16Br2O
Molecular Weight444.17 g/mol
Exact Mass441.96
IUPAC Name2-bromo-6-methylnaphthalene;6-bromonaphthalen-2-ol
SMILESCc1ccc2cc(Br)ccc2c1.Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C11H9Br.C10H7BrO/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;11-9-3-1-8-6-10(12)4-2-7(8)5-9/h2-7H,1H3;1-6,12H
InChIKeyUFELGFZBYNAWQS-UHFFFAOYSA-N
XLogP7.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.17
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 159499865
CID 159499865
7-methylnaphthalen-2-ol
CID 67841093
6-bromonaphthalen-2-ol;N-methylpropan-1-amine
CID 123502448
2,9-dimethylpentacene
CID 11460950
2,6-dibromonaphthalene
CID 640591
6-bromo-2-methylphenanthrene
CID 15159136
[4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate
CID 89329145
ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol
CID 143631161
sodium;hydride;naphthalene-2,6-diol
CID 174639769
CID 162214649
CID 162214649
2-bromonaphthalene;phenol
CID 174920874
6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene
CID 158113747

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylnaphthalene;6-bromonaphthalen-2-ol?
The IUPAC name of 2-bromo-6-methylnaphthalene;6-bromonaphthalen-2-ol (CID 161075260) is 2-bromo-6-methylnaphthalene;6-bromonaphthalen-2-ol.
What is the SMILES notation for 2-bromo-6-methylnaphthalene;6-bromonaphthalen-2-ol?
The canonical SMILES for 2-bromo-6-methylnaphthalene;6-bromonaphthalen-2-ol is Cc1ccc2cc(Br)ccc2c1.Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-bromo-6-methylnaphthalene;6-bromonaphthalen-2-ol?
The InChIKey is UFELGFZBYNAWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br.C10H7BrO/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;11-9-3-1-8-6-10(12)4-2-7(8)5-9/h2-7H,1H3;1-6,12H.
What are the key properties of 2-bromo-6-methylnaphthalene;6-bromonaphthalen-2-ol?
2-bromo-6-methylnaphthalene;6-bromonaphthalen-2-ol has a molecular weight of 444.17 g/mol, XLogP of 7.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylnaphthalene;6-bromonaphthalen-2-ol is sourced from PubChem (CID 161075260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).