2-(1,2-13C2)ethyl-4,6-dimethylphenol

C10H14O — CID 102175536

IUPAC2-(1,2-13C2)ethyl-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c([13CH2][13CH3])c1
InChIInChI=1S/C10H14O/c1-4-9-6-7(2)5-8(3)10(9)11/h5-6,11H,4H2,1-3H3/i1+1,4+1
InChIKeyMXHAHSBTOVFDBK-VFZPYAPFSA-N
MW152.21 g/mol
LogP2.57
Rot. Bonds1

About 2-(1,2-13C2)ethyl-4,6-dimethylphenol

2-(1,2-13C2)ethyl-4,6-dimethylphenol (PubChem CID 102175536) has the molecular formula C10H14O and a molecular weight of 152.21 g/mol. Its IUPAC name is 2-(1,2-13C2)ethyl-4,6-dimethylphenol.

Molecular Properties

Compound Name2-(1,2-13C2)ethyl-4,6-dimethylphenol
PubChem CID102175536
Molecular FormulaC10H14O
Molecular Weight152.21 g/mol
Exact Mass152.11
IUPAC Name2-(1,2-13C2)ethyl-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c([13CH2][13CH3])c1
InChIInChI=1S/C10H14O/c1-4-9-6-7(2)5-8(3)10(9)11/h5-6,11H,4H2,1-3H3/i1+1,4+1
InChIKeyMXHAHSBTOVFDBK-VFZPYAPFSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 134464799
2-ethyl-6-methylbenzene-1,4-diol
CID 11686935
2-ethyl-6-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylphenol
CID 22011679
(2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride
CID 117341424
2-ethyl-4-methyl-6-propylphenol
CID 66879780
2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 10040352
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 21282731
2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol
CID 59972171
3-ethyl-2-hydroxy-5-methylbenzaldehyde
CID 123167289
carbanide;2-[[5-[[5-[[5-[[3-[(5-ethyl-2-hydroxy-3-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-4,6-dimethylphenol;bis(titanium(2+))
CID 59071786

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-13C2)ethyl-4,6-dimethylphenol?
The IUPAC name of 2-(1,2-13C2)ethyl-4,6-dimethylphenol (CID 102175536) is 2-(1,2-13C2)ethyl-4,6-dimethylphenol.
What is the SMILES notation for 2-(1,2-13C2)ethyl-4,6-dimethylphenol?
The canonical SMILES for 2-(1,2-13C2)ethyl-4,6-dimethylphenol is Cc1cc(C)c(O)c([13CH2][13CH3])c1.
What is the InChIKey of 2-(1,2-13C2)ethyl-4,6-dimethylphenol?
The InChIKey is MXHAHSBTOVFDBK-VFZPYAPFSA-N. The full InChI is InChI=1S/C10H14O/c1-4-9-6-7(2)5-8(3)10(9)11/h5-6,11H,4H2,1-3H3/i1+1,4+1.
What are the key properties of 2-(1,2-13C2)ethyl-4,6-dimethylphenol?
2-(1,2-13C2)ethyl-4,6-dimethylphenol has a molecular weight of 152.21 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-13C2)ethyl-4,6-dimethylphenol is sourced from PubChem (CID 102175536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).