2,4,5-trideuterio-6-methoxy-3-methylphenol

C8H10O2 — CID 135563809

IUPAC2,4,5-trideuterio-6-methoxy-3-methylphenol
SMILES[2H]c1c([2H])c(OC)c(O)c([2H])c1C
InChIInChI=1S/C8H10O2/c1-6-3-4-8(10-2)7(9)5-6/h3-5,9H,1-2H3/i3D,4D,5D
InChIKeyIFNDEOYXGHGERA-QGZYMEECSA-N
MW141.18 g/mol
LogP1.71
Rot. Bonds1

About 2,4,5-trideuterio-6-methoxy-3-methylphenol

2,4,5-trideuterio-6-methoxy-3-methylphenol (PubChem CID 135563809) has the molecular formula C8H10O2 and a molecular weight of 141.18 g/mol. Its IUPAC name is 2,4,5-trideuterio-6-methoxy-3-methylphenol.

Molecular Properties

Compound Name2,4,5-trideuterio-6-methoxy-3-methylphenol
PubChem CID135563809
Molecular FormulaC8H10O2
Molecular Weight141.18 g/mol
Exact Mass141.09
IUPAC Name2,4,5-trideuterio-6-methoxy-3-methylphenol
SMILES[2H]c1c([2H])c(OC)c(O)c([2H])c1C
InChIInChI=1S/C8H10O2/c1-6-3-4-8(10-2)7(9)5-6/h3-5,9H,1-2H3/i3D,4D,5D
InChIKeyIFNDEOYXGHGERA-QGZYMEECSA-N
XLogP1.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Eugenol
CID 3314
Ferulic Acid
CID 445858
Guaiacol
CID 460
Methyleugenol
CID 7127
Isoeugenol
CID 853433
Curcumin
CID 969516
(-)-Secoisolariciresinol
CID 65373
Isosafrole
CID 637796
4-Vinylguaiacol
CID 332
2-Methoxy-4-Methylphenol
CID 7144
Zingerone
CID 31211
Isoferulic Acid
CID 736186

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trideuterio-6-methoxy-3-methylphenol?
The IUPAC name of 2,4,5-trideuterio-6-methoxy-3-methylphenol (CID 135563809) is 2,4,5-trideuterio-6-methoxy-3-methylphenol.
What is the SMILES notation for 2,4,5-trideuterio-6-methoxy-3-methylphenol?
The canonical SMILES for 2,4,5-trideuterio-6-methoxy-3-methylphenol is [2H]c1c([2H])c(OC)c(O)c([2H])c1C.
What is the InChIKey of 2,4,5-trideuterio-6-methoxy-3-methylphenol?
The InChIKey is IFNDEOYXGHGERA-QGZYMEECSA-N. The full InChI is InChI=1S/C8H10O2/c1-6-3-4-8(10-2)7(9)5-6/h3-5,9H,1-2H3/i3D,4D,5D.
What are the key properties of 2,4,5-trideuterio-6-methoxy-3-methylphenol?
2,4,5-trideuterio-6-methoxy-3-methylphenol has a molecular weight of 141.18 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trideuterio-6-methoxy-3-methylphenol is sourced from PubChem (CID 135563809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).