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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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).