2,3,4,5-tetradeuterio-6-methoxyphenol

C7H8O2 — CID 90476366

IUPAC2,3,4,5-tetradeuterio-6-methoxyphenol
SMILES[2H]c1c([2H])c([2H])c(OC)c(O)c1[2H]
InChIInChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3/i2D,3D,4D,5D
InChIKeyLHGVFZTZFXWLCP-QFFDRWTDSA-N
MW128.16 g/mol
LogP1.40
Rot. Bonds1

About 2,3,4,5-tetradeuterio-6-methoxyphenol

2,3,4,5-tetradeuterio-6-methoxyphenol (PubChem CID 90476366) has the molecular formula C7H8O2 and a molecular weight of 128.16 g/mol. Its IUPAC name is 2,3,4,5-tetradeuterio-6-methoxyphenol.

Molecular Properties

Compound Name2,3,4,5-tetradeuterio-6-methoxyphenol
PubChem CID90476366
Molecular FormulaC7H8O2
Molecular Weight128.16 g/mol
Exact Mass128.08
IUPAC Name2,3,4,5-tetradeuterio-6-methoxyphenol
SMILES[2H]c1c([2H])c([2H])c(OC)c(O)c1[2H]
InChIInChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3/i2D,3D,4D,5D
InChIKeyLHGVFZTZFXWLCP-QFFDRWTDSA-N
XLogP1.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.16
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-tetradeuterio-5,6-dimethoxybenzene
CID 56845942
2,4,5-trideuterio-6-methoxy-3-methylphenol
CID 135563809
2,2-dideuterio-2-(2,5,6-trideuterio-4-hydroxy-3-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)acetic acid
CID 51038740
5-methoxybenzene-1,2,4-triol
CID 20551665
azane;2-methoxyphenol
CID 172717837
2-methoxyphenol;molecular bromine
CID 141484212
methanethiol;2-methoxyphenol
CID 141484211
2-[2-fluoro-3-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]benzene-1,3-diol;1,2,3,4,5,6,7-heptadeuterio-8-[3-(2,6-dimethoxyphenyl)-2-fluorophenyl]naphthalene
CID 165063971
formonitrile;2-methoxyphenol
CID 161059546
2,3-diamino-4-methoxyphenol
CID 70465216
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
dichlorotitanium;bis(2-methoxyphenol)
CID 164736686

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetradeuterio-6-methoxyphenol?
The IUPAC name of 2,3,4,5-tetradeuterio-6-methoxyphenol (CID 90476366) is 2,3,4,5-tetradeuterio-6-methoxyphenol.
What is the SMILES notation for 2,3,4,5-tetradeuterio-6-methoxyphenol?
The canonical SMILES for 2,3,4,5-tetradeuterio-6-methoxyphenol is [2H]c1c([2H])c([2H])c(OC)c(O)c1[2H].
What is the InChIKey of 2,3,4,5-tetradeuterio-6-methoxyphenol?
The InChIKey is LHGVFZTZFXWLCP-QFFDRWTDSA-N. The full InChI is InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3/i2D,3D,4D,5D.
What are the key properties of 2,3,4,5-tetradeuterio-6-methoxyphenol?
2,3,4,5-tetradeuterio-6-methoxyphenol has a molecular weight of 128.16 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetradeuterio-6-methoxyphenol is sourced from PubChem (CID 90476366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).