2,2,2-trideuterio-1-phenylethanol

C8H10O — CID 15618819

IUPAC2,2,2-trideuterio-1-phenylethanol
SMILES[2H]C([2H])([2H])C(O)c1ccccc1
InChIInChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/i1D3
InChIKeyWAPNOHKVXSQRPX-FIBGUPNXSA-N
MW125.19 g/mol
LogP1.74
Rot. Bonds2

About 2,2,2-trideuterio-1-phenylethanol

2,2,2-trideuterio-1-phenylethanol (PubChem CID 15618819) has the molecular formula C8H10O and a molecular weight of 125.19 g/mol. Its IUPAC name is 2,2,2-trideuterio-1-phenylethanol.

Molecular Properties

Compound Name2,2,2-trideuterio-1-phenylethanol
PubChem CID15618819
Molecular FormulaC8H10O
Molecular Weight125.19 g/mol
Exact Mass125.09
IUPAC Name2,2,2-trideuterio-1-phenylethanol
SMILES[2H]C([2H])([2H])C(O)c1ccccc1
InChIInChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/i1D3
InChIKeyWAPNOHKVXSQRPX-FIBGUPNXSA-N
XLogP1.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.19
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2,2-trideuterio-1-deuteriooxyethyl)benzene
CID 56946667
(1S)-1-phenylethanol
CID 157125626
azane;(1R)-1-phenylethanol
CID 126646564
carbanide;(1R)-1-phenylethanol;zinc
CID 177390370
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
(1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride
CID 76974285
2,3-dimethylbutane-2,3-diol;1-phenylethanol
CID 67631199
1,2-diphenylethane-1,2-diol
CID 159073808
nitric acid;1-phenylethanol
CID 67855225
phenyl-(3-phenyloxaziridin-3-yl)methanol
CID 88777993
cumene;hydrogen peroxide
CID 21225480
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trideuterio-1-phenylethanol?
The IUPAC name of 2,2,2-trideuterio-1-phenylethanol (CID 15618819) is 2,2,2-trideuterio-1-phenylethanol.
What is the SMILES notation for 2,2,2-trideuterio-1-phenylethanol?
The canonical SMILES for 2,2,2-trideuterio-1-phenylethanol is [2H]C([2H])([2H])C(O)c1ccccc1.
What is the InChIKey of 2,2,2-trideuterio-1-phenylethanol?
The InChIKey is WAPNOHKVXSQRPX-FIBGUPNXSA-N. The full InChI is InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/i1D3.
What are the key properties of 2,2,2-trideuterio-1-phenylethanol?
2,2,2-trideuterio-1-phenylethanol has a molecular weight of 125.19 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trideuterio-1-phenylethanol is sourced from PubChem (CID 15618819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).