bis(2,5-dimethylphenol);dihydrochloride

C16H22Cl2O2 — CID 70596946

IUPACbis(2,5-dimethylphenol);dihydrochloride
SMILESCc1ccc(C)c(O)c1.Cc1ccc(C)c(O)c1.Cl.Cl
InChIInChI=1S/2C8H10O.2ClH/c2*1-6-3-4-7(2)8(9)5-6;;/h2*3-5,9H,1-2H3;2*1H
InChIKeyHHFSMVULBZVNKW-UHFFFAOYSA-N
MW317.26 g/mol
LogP4.86
Rot. Bonds

About bis(2,5-dimethylphenol);dihydrochloride

bis(2,5-dimethylphenol);dihydrochloride (PubChem CID 70596946) has the molecular formula C16H22Cl2O2 and a molecular weight of 317.26 g/mol. Its IUPAC name is bis(2,5-dimethylphenol);dihydrochloride.

Molecular Properties

Compound Namebis(2,5-dimethylphenol);dihydrochloride
PubChem CID70596946
Molecular FormulaC16H22Cl2O2
Molecular Weight317.26 g/mol
Exact Mass316.10
IUPAC Namebis(2,5-dimethylphenol);dihydrochloride
SMILESCc1ccc(C)c(O)c1.Cc1ccc(C)c(O)c1.Cl.Cl
InChIInChI=1S/2C8H10O.2ClH/c2*1-6-3-4-7(2)8(9)5-6;;/h2*3-5,9H,1-2H3;2*1H
InChIKeyHHFSMVULBZVNKW-UHFFFAOYSA-N
XLogP4.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethylphenol;ethane
CID 143419778
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2,5-dimethylphenol;4-methylphenol
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2,3-dimethylphenol;2,5-dimethylphenol;zirconium;hydrochloride
CID 173197082
benzene;2,5-dimethylphenol;scandium
CID 154258106
5-(3-hydroxy-4-methylphenyl)-2-methylphenol
CID 22942672
bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
2,4-dimethylphenol
CID 67713801
2,4-dimethylphenol;yttrium
CID 87733318
CID 175892141
CID 175892141
CID 172763014
CID 172763014
5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol
CID 170298628

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethylphenol);dihydrochloride?
The IUPAC name of bis(2,5-dimethylphenol);dihydrochloride (CID 70596946) is bis(2,5-dimethylphenol);dihydrochloride.
What is the SMILES notation for bis(2,5-dimethylphenol);dihydrochloride?
The canonical SMILES for bis(2,5-dimethylphenol);dihydrochloride is Cc1ccc(C)c(O)c1.Cc1ccc(C)c(O)c1.Cl.Cl.
What is the InChIKey of bis(2,5-dimethylphenol);dihydrochloride?
The InChIKey is HHFSMVULBZVNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10O.2ClH/c2*1-6-3-4-7(2)8(9)5-6;;/h2*3-5,9H,1-2H3;2*1H.
What are the key properties of bis(2,5-dimethylphenol);dihydrochloride?
bis(2,5-dimethylphenol);dihydrochloride has a molecular weight of 317.26 g/mol, XLogP of 4.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethylphenol);dihydrochloride is sourced from PubChem (CID 70596946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).