2,5-dimethylphenol;samarium

C8H10OSm — CID 87732062

IUPAC2,5-dimethylphenol;samarium
SMILESCc1ccc(C)c(O)c1.[Sm]
InChIInChI=1S/C8H10O.Sm/c1-6-3-4-7(2)8(9)5-6;/h3-5,9H,1-2H3;
InChIKeyZWZRSBWCPLJGAJ-UHFFFAOYSA-N
MW272.53 g/mol
LogP2.01
Rot. Bonds

About 2,5-dimethylphenol;samarium

2,5-dimethylphenol;samarium (PubChem CID 87732062) has the molecular formula C8H10OSm and a molecular weight of 272.53 g/mol. Its IUPAC name is 2,5-dimethylphenol;samarium.

Molecular Properties

Compound Name2,5-dimethylphenol;samarium
PubChem CID87732062
Molecular FormulaC8H10OSm
Molecular Weight272.53 g/mol
Exact Mass273.99
IUPAC Name2,5-dimethylphenol;samarium
SMILESCc1ccc(C)c(O)c1.[Sm]
InChIInChI=1S/C8H10O.Sm/c1-6-3-4-7(2)8(9)5-6;/h3-5,9H,1-2H3;
InChIKeyZWZRSBWCPLJGAJ-UHFFFAOYSA-N
XLogP2.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dimethylphenol;ethane
CID 143419778
bis(2,5-dimethylphenol);dihydrochloride
CID 70596946
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
2,4-dimethylphenol
CID 67713801
bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
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 2,5-dimethylphenol;samarium?
The IUPAC name of 2,5-dimethylphenol;samarium (CID 87732062) is 2,5-dimethylphenol;samarium.
What is the SMILES notation for 2,5-dimethylphenol;samarium?
The canonical SMILES for 2,5-dimethylphenol;samarium is Cc1ccc(C)c(O)c1.[Sm].
What is the InChIKey of 2,5-dimethylphenol;samarium?
The InChIKey is ZWZRSBWCPLJGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.Sm/c1-6-3-4-7(2)8(9)5-6;/h3-5,9H,1-2H3;.
What are the key properties of 2,5-dimethylphenol;samarium?
2,5-dimethylphenol;samarium has a molecular weight of 272.53 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylphenol;samarium is sourced from PubChem (CID 87732062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).