2,5-dimethylphenol;ethane

C12H22O — CID 143419778

IUPAC2,5-dimethylphenol;ethane
SMILESCC.CC.Cc1ccc(C)c(O)c1
InChIInChI=1S/C8H10O.2C2H6/c1-6-3-4-7(2)8(9)5-6;2*1-2/h3-5,9H,1-2H3;2*1-2H3
InChIKeyHSBNOHVGROZRMX-UHFFFAOYSA-N
MW182.31 g/mol
LogP4.06
Rot. Bonds

About 2,5-dimethylphenol;ethane

2,5-dimethylphenol;ethane (PubChem CID 143419778) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,5-dimethylphenol;ethane.

Molecular Properties

Compound Name2,5-dimethylphenol;ethane
PubChem CID143419778
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2,5-dimethylphenol;ethane
SMILESCC.CC.Cc1ccc(C)c(O)c1
InChIInChI=1S/C8H10O.2C2H6/c1-6-3-4-7(2)8(9)5-6;2*1-2/h3-5,9H,1-2H3;2*1-2H3
InChIKeyHSBNOHVGROZRMX-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2,5-dimethylphenol);dihydrochloride
CID 70596946
2,5-dimethylphenol;samarium
CID 87732062
2,5-dimethylphenol;4-methylphenol
CID 67649093
benzene;2,5-dimethylphenol;scandium
CID 154258106
2,3-dimethylphenol;2,5-dimethylphenol;zirconium;hydrochloride
CID 173197082
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 172763014
CID 172763014
CID 175892141
CID 175892141
5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol
CID 170298628

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylphenol;ethane?
The IUPAC name of 2,5-dimethylphenol;ethane (CID 143419778) is 2,5-dimethylphenol;ethane.
What is the SMILES notation for 2,5-dimethylphenol;ethane?
The canonical SMILES for 2,5-dimethylphenol;ethane is CC.CC.Cc1ccc(C)c(O)c1.
What is the InChIKey of 2,5-dimethylphenol;ethane?
The InChIKey is HSBNOHVGROZRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.2C2H6/c1-6-3-4-7(2)8(9)5-6;2*1-2/h3-5,9H,1-2H3;2*1-2H3.
What are the key properties of 2,5-dimethylphenol;ethane?
2,5-dimethylphenol;ethane has a molecular weight of 182.31 g/mol, XLogP of 4.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylphenol;ethane is sourced from PubChem (CID 143419778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).