3-hydroxy-2-(trideuteriomethyl)benzoic acid

C8H8O3 — CID 45039463

IUPAC3-hydroxy-2-(trideuteriomethyl)benzoic acid
SMILES[2H]C([2H])([2H])c1c(O)cccc1C(=O)O
InChIInChI=1S/C8H8O3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3,(H,10,11)/i1D3
InChIKeyRIERSGULWXEJKL-FIBGUPNXSA-N
MW155.17 g/mol
LogP1.40
Rot. Bonds2

About 3-hydroxy-2-(trideuteriomethyl)benzoic acid

3-hydroxy-2-(trideuteriomethyl)benzoic acid (PubChem CID 45039463) has the molecular formula C8H8O3 and a molecular weight of 155.17 g/mol. Its IUPAC name is 3-hydroxy-2-(trideuteriomethyl)benzoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(trideuteriomethyl)benzoic acid
PubChem CID45039463
Molecular FormulaC8H8O3
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name3-hydroxy-2-(trideuteriomethyl)benzoic acid
SMILES[2H]C([2H])([2H])c1c(O)cccc1C(=O)O
InChIInChI=1S/C8H8O3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3,(H,10,11)/i1D3
InChIKeyRIERSGULWXEJKL-FIBGUPNXSA-N
XLogP1.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
ethane;3-hydroxy-2-methylbenzoic acid;prop-1-ene
CID 143312363
3-(3-carboxy-2-methylphenyl)-2-methylbenzoic acid
CID 22140374
2-methylbenzene-1,3-dicarboxylic acid;propan-2-ol
CID 175270418
benzene-1,2-diol;phthalic acid
CID 160861167
3-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid
CID 90271210
bicyclo[1.1.0]butane;2-methylbenzene-1,3-dicarboxylic acid
CID 174778770
3-carbonochloridoyl-2-methylbenzoic acid
CID 89389383
2-(3-hydroxy-2-methylphenyl)-2-oxoacetic acid
CID 117278222
2-hydroxybenzoic acid;silver
CID 87326670
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
CID 87183669
CID 87183669

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(trideuteriomethyl)benzoic acid?
The IUPAC name of 3-hydroxy-2-(trideuteriomethyl)benzoic acid (CID 45039463) is 3-hydroxy-2-(trideuteriomethyl)benzoic acid.
What is the SMILES notation for 3-hydroxy-2-(trideuteriomethyl)benzoic acid?
The canonical SMILES for 3-hydroxy-2-(trideuteriomethyl)benzoic acid is [2H]C([2H])([2H])c1c(O)cccc1C(=O)O.
What is the InChIKey of 3-hydroxy-2-(trideuteriomethyl)benzoic acid?
The InChIKey is RIERSGULWXEJKL-FIBGUPNXSA-N. The full InChI is InChI=1S/C8H8O3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3,(H,10,11)/i1D3.
What are the key properties of 3-hydroxy-2-(trideuteriomethyl)benzoic acid?
3-hydroxy-2-(trideuteriomethyl)benzoic acid has a molecular weight of 155.17 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(trideuteriomethyl)benzoic acid is sourced from PubChem (CID 45039463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).