2,2,2-trideuterio-1-(2-hydroxyphenyl)ethanone

C8H8O2 — CID 102513692

IUPAC2,2,2-trideuterio-1-(2-hydroxyphenyl)ethanone
SMILES[2H]C([2H])([2H])C(=O)c1ccccc1O
InChIInChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3/i1D3
InChIKeyJECYUBVRTQDVAT-FIBGUPNXSA-N
MW139.17 g/mol
LogP1.59
Rot. Bonds2

About 2,2,2-trideuterio-1-(2-hydroxyphenyl)ethanone

2,2,2-trideuterio-1-(2-hydroxyphenyl)ethanone (PubChem CID 102513692) has the molecular formula C8H8O2 and a molecular weight of 139.17 g/mol. Its IUPAC name is 2,2,2-trideuterio-1-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2,2,2-trideuterio-1-(2-hydroxyphenyl)ethanone
PubChem CID102513692
Molecular FormulaC8H8O2
Molecular Weight139.17 g/mol
Exact Mass139.07
IUPAC Name2,2,2-trideuterio-1-(2-hydroxyphenyl)ethanone
SMILES[2H]C([2H])([2H])C(=O)c1ccccc1O
InChIInChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3/i1D3
InChIKeyJECYUBVRTQDVAT-FIBGUPNXSA-N
XLogP1.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
2,2,2-trideuterio-1-(2-methylphenyl)ethanone
CID 10486909
CID 87183669
CID 87183669
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;hydrobromide
CID 70122828
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670
1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one
CID 11586385

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trideuterio-1-(2-hydroxyphenyl)ethanone?
The IUPAC name of 2,2,2-trideuterio-1-(2-hydroxyphenyl)ethanone (CID 102513692) is 2,2,2-trideuterio-1-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for 2,2,2-trideuterio-1-(2-hydroxyphenyl)ethanone?
The canonical SMILES for 2,2,2-trideuterio-1-(2-hydroxyphenyl)ethanone is [2H]C([2H])([2H])C(=O)c1ccccc1O.
What is the InChIKey of 2,2,2-trideuterio-1-(2-hydroxyphenyl)ethanone?
The InChIKey is JECYUBVRTQDVAT-FIBGUPNXSA-N. The full InChI is InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3/i1D3.
What are the key properties of 2,2,2-trideuterio-1-(2-hydroxyphenyl)ethanone?
2,2,2-trideuterio-1-(2-hydroxyphenyl)ethanone has a molecular weight of 139.17 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trideuterio-1-(2-hydroxyphenyl)ethanone is sourced from PubChem (CID 102513692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).