3-bromo-2,6-dimethylphenol;ethane

C10H15BrO — CID 142823645

IUPAC3-bromo-2,6-dimethylphenol;ethane
SMILESCC.Cc1ccc(Br)c(C)c1O
InChIInChI=1S/C8H9BrO.C2H6/c1-5-3-4-7(9)6(2)8(5)10;1-2/h3-4,10H,1-2H3;1-2H3
InChIKeyNYMJRHVEQWLKGX-UHFFFAOYSA-N
MW231.13 g/mol
LogP3.80
Rot. Bonds

About 3-bromo-2,6-dimethylphenol;ethane

3-bromo-2,6-dimethylphenol;ethane (PubChem CID 142823645) has the molecular formula C10H15BrO and a molecular weight of 231.13 g/mol. Its IUPAC name is 3-bromo-2,6-dimethylphenol;ethane.

Molecular Properties

Compound Name3-bromo-2,6-dimethylphenol;ethane
PubChem CID142823645
Molecular FormulaC10H15BrO
Molecular Weight231.13 g/mol
Exact Mass230.03
IUPAC Name3-bromo-2,6-dimethylphenol;ethane
SMILESCC.Cc1ccc(Br)c(C)c1O
InChIInChI=1S/C8H9BrO.C2H6/c1-5-3-4-7(9)6(2)8(5)10;1-2/h3-4,10H,1-2H3;1-2H3
InChIKeyNYMJRHVEQWLKGX-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-(bromomethyl)-2,4-dimethylbenzene
CID 131618742
3,5-dibromo-2,6-dimethylphenol
CID 13108684
4-bromo-2-methylbenzene-1,3-diol
CID 15004925
3-amino-2,6-dimethylphenol;hydrochloride
CID 21322807
3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol
CID 84802437
2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol
CID 84803050
2-(2-aminopropyl)-3-bromo-6-methylphenol
CID 117361743
2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol
CID 117393343
2-chloro-3,6-dimethylphenol;ethane
CID 144511181
6-bromo-2-(2-hydroxyethyl)-3-methylphenol
CID 117333496
4-bromo-3-chloro-2-methylphenol;ethane
CID 162438700
5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide
CID 115297143

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-dimethylphenol;ethane?
The IUPAC name of 3-bromo-2,6-dimethylphenol;ethane (CID 142823645) is 3-bromo-2,6-dimethylphenol;ethane.
What is the SMILES notation for 3-bromo-2,6-dimethylphenol;ethane?
The canonical SMILES for 3-bromo-2,6-dimethylphenol;ethane is CC.Cc1ccc(Br)c(C)c1O.
What is the InChIKey of 3-bromo-2,6-dimethylphenol;ethane?
The InChIKey is NYMJRHVEQWLKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO.C2H6/c1-5-3-4-7(9)6(2)8(5)10;1-2/h3-4,10H,1-2H3;1-2H3.
What are the key properties of 3-bromo-2,6-dimethylphenol;ethane?
3-bromo-2,6-dimethylphenol;ethane has a molecular weight of 231.13 g/mol, XLogP of 3.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,6-dimethylphenol;ethane is sourced from PubChem (CID 142823645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).