benzene;2,5-dimethylphenol;scandium

C14H15OSc- — CID 154258106

IUPACbenzene;2,5-dimethylphenol;scandium
SMILESCc1ccc(C)c(O)c1.[Sc].[c-]1ccccc1
InChIInChI=1S/C8H10O.C6H5.Sc/c1-6-3-4-7(2)8(9)5-6;1-2-4-6-5-3-1;/h3-5,9H,1-2H3;1-5H;/q;-1;
InChIKeyIOQDSXVAUFZMEZ-UHFFFAOYSA-N
MW244.23 g/mol
LogP3.49
Rot. Bonds

About benzene;2,5-dimethylphenol;scandium

benzene;2,5-dimethylphenol;scandium (PubChem CID 154258106) has the molecular formula C14H15OSc- and a molecular weight of 244.23 g/mol. Its IUPAC name is benzene;2,5-dimethylphenol;scandium.

Molecular Properties

Compound Namebenzene;2,5-dimethylphenol;scandium
PubChem CID154258106
Molecular FormulaC14H15OSc-
Molecular Weight244.23 g/mol
Exact Mass244.07
IUPAC Namebenzene;2,5-dimethylphenol;scandium
SMILESCc1ccc(C)c(O)c1.[Sc].[c-]1ccccc1
InChIInChI=1S/C8H10O.C6H5.Sc/c1-6-3-4-7(2)8(9)5-6;1-2-4-6-5-3-1;/h3-5,9H,1-2H3;1-5H;/q;-1;
InChIKeyIOQDSXVAUFZMEZ-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze benzene;2,5-dimethylphenol;scandium 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

2,5-dimethylphenol;ethane
CID 143419778
bis(2,5-dimethylphenol);dihydrochloride
CID 70596946
2,5-dimethylphenol;samarium
CID 87732062
2,5-dimethylphenol;4-methylphenol
CID 67649093
2,3-dimethylphenol;2,5-dimethylphenol;zirconium;hydrochloride
CID 173197082
magnesium;benzene;4-methylbenzenesulfonic acid
CID 173232116
benzene;carbanide;toluene;tungsten(2+)
CID 143728683
1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol
CID 68551781
benzene;dichlorozirconium;2,7-dimethyl-9H-fluoren-9-ide
CID 174569576
5-(3-hydroxy-4-methylphenyl)-2-methylphenol
CID 22942672
bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
2,4-dimethylphenol
CID 67713801

Frequently Asked Questions

What is the IUPAC name of benzene;2,5-dimethylphenol;scandium?
The IUPAC name of benzene;2,5-dimethylphenol;scandium (CID 154258106) is benzene;2,5-dimethylphenol;scandium.
What is the SMILES notation for benzene;2,5-dimethylphenol;scandium?
The canonical SMILES for benzene;2,5-dimethylphenol;scandium is Cc1ccc(C)c(O)c1.[Sc].[c-]1ccccc1.
What is the InChIKey of benzene;2,5-dimethylphenol;scandium?
The InChIKey is IOQDSXVAUFZMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C6H5.Sc/c1-6-3-4-7(2)8(9)5-6;1-2-4-6-5-3-1;/h3-5,9H,1-2H3;1-5H;/q;-1;.
What are the key properties of benzene;2,5-dimethylphenol;scandium?
benzene;2,5-dimethylphenol;scandium has a molecular weight of 244.23 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,5-dimethylphenol;scandium is sourced from PubChem (CID 154258106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).