2-bromo-6,8-dimethylnaphthalen-1-ol

C12H11BrO — CID 121007840

IUPAC2-bromo-6,8-dimethylnaphthalen-1-ol
SMILESCc1cc(C)c2c(O)c(Br)ccc2c1
InChIInChI=1S/C12H11BrO/c1-7-5-8(2)11-9(6-7)3-4-10(13)12(11)14/h3-6,14H,1-2H3
InChIKeyFUMHQBCDFYDRBD-UHFFFAOYSA-N
MW251.12 g/mol
LogP3.92
Rot. Bonds

About 2-bromo-6,8-dimethylnaphthalen-1-ol

2-bromo-6,8-dimethylnaphthalen-1-ol (PubChem CID 121007840) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is 2-bromo-6,8-dimethylnaphthalen-1-ol.

Molecular Properties

Compound Name2-bromo-6,8-dimethylnaphthalen-1-ol
PubChem CID121007840
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name2-bromo-6,8-dimethylnaphthalen-1-ol
SMILESCc1cc(C)c2c(O)c(Br)ccc2c1
InChIInChI=1S/C12H11BrO/c1-7-5-8(2)11-9(6-7)3-4-10(13)12(11)14/h3-6,14H,1-2H3
InChIKeyFUMHQBCDFYDRBD-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-methylbenzene-1,3-diol
CID 15004925
8-bromo-1,2-difluoro-6-methylnaphthalene
CID 174273019
2-bromonaphthalene-1,8-diol
CID 23297382
2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol
CID 154609906
2-bromobenzo[a]anthracen-1-ol
CID 88522900
5-fluoro-1,3,7-trimethylphenanthrene
CID 59121353
5,7-dimethylisoquinolin-4-ol
CID 121420709
1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene)
CID 159825938
2-iodo-7-methylpyrene
CID 143848357
2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 122229752
4-bromo-5,7-dimethylquinoline
CID 39346126
CID 140768421
CID 140768421

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6,8-dimethylnaphthalen-1-ol?
The IUPAC name of 2-bromo-6,8-dimethylnaphthalen-1-ol (CID 121007840) is 2-bromo-6,8-dimethylnaphthalen-1-ol.
What is the SMILES notation for 2-bromo-6,8-dimethylnaphthalen-1-ol?
The canonical SMILES for 2-bromo-6,8-dimethylnaphthalen-1-ol is Cc1cc(C)c2c(O)c(Br)ccc2c1.
What is the InChIKey of 2-bromo-6,8-dimethylnaphthalen-1-ol?
The InChIKey is FUMHQBCDFYDRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO/c1-7-5-8(2)11-9(6-7)3-4-10(13)12(11)14/h3-6,14H,1-2H3.
What are the key properties of 2-bromo-6,8-dimethylnaphthalen-1-ol?
2-bromo-6,8-dimethylnaphthalen-1-ol has a molecular weight of 251.12 g/mol, XLogP of 3.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6,8-dimethylnaphthalen-1-ol is sourced from PubChem (CID 121007840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).