butane;2,6-dimethylphenol;ethane

C16H32O — CID 143018459

IUPACbutane;2,6-dimethylphenol;ethane
SMILESCC.CC.CCCC.Cc1cccc(C)c1O
InChIInChI=1S/C8H10O.C4H10.2C2H6/c1-6-4-3-5-7(2)8(6)9;1-3-4-2;2*1-2/h3-5,9H,1-2H3;3-4H2,1-2H3;2*1-2H3
InChIKeyPJEKNVOAPCKMFP-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.87
Rot. Bonds1

About butane;2,6-dimethylphenol;ethane

butane;2,6-dimethylphenol;ethane (PubChem CID 143018459) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is butane;2,6-dimethylphenol;ethane.

Molecular Properties

Compound Namebutane;2,6-dimethylphenol;ethane
PubChem CID143018459
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Namebutane;2,6-dimethylphenol;ethane
SMILESCC.CC.CCCC.Cc1cccc(C)c1O
InChIInChI=1S/C8H10O.C4H10.2C2H6/c1-6-4-3-5-7(2)8(6)9;1-3-4-2;2*1-2/h3-5,9H,1-2H3;3-4H2,1-2H3;2*1-2H3
InChIKeyPJEKNVOAPCKMFP-UHFFFAOYSA-N
XLogP5.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze butane;2,6-dimethylphenol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane;bis(2,6-dimethylphenol);zirconium(2+)
CID 59962689
3-methylbenzene-1,2-diol
CID 135381405
2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 164967326
ethane;2-fluoro-6-methylphenol
CID 162729094
2-methyl-6-undecylphenol
CID 174998801
sodium;3-methylbenzene-1,2-diol;chloride
CID 174915760
butane-2,2-diol;3-methylbenzene-1,2-diol
CID 174976791
2-ethoxy-6-methylphenol
CID 14911944
2-(2,2-dimethylpropyl)-6-methylphenol
CID 22013258
2-(2-bromoethyl)-6-methylphenol
CID 21464053
3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol
CID 158712110
2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol
CID 20768179

Frequently Asked Questions

What is the IUPAC name of butane;2,6-dimethylphenol;ethane?
The IUPAC name of butane;2,6-dimethylphenol;ethane (CID 143018459) is butane;2,6-dimethylphenol;ethane.
What is the SMILES notation for butane;2,6-dimethylphenol;ethane?
The canonical SMILES for butane;2,6-dimethylphenol;ethane is CC.CC.CCCC.Cc1cccc(C)c1O.
What is the InChIKey of butane;2,6-dimethylphenol;ethane?
The InChIKey is PJEKNVOAPCKMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C4H10.2C2H6/c1-6-4-3-5-7(2)8(6)9;1-3-4-2;2*1-2/h3-5,9H,1-2H3;3-4H2,1-2H3;2*1-2H3.
What are the key properties of butane;2,6-dimethylphenol;ethane?
butane;2,6-dimethylphenol;ethane has a molecular weight of 240.43 g/mol, XLogP of 5.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,6-dimethylphenol;ethane is sourced from PubChem (CID 143018459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).