1,1-dideuterio-2-phenyl(113C)ethanol

C8H10O — CID 10419181

IUPAC1,1-dideuterio-2-phenyl(113C)ethanol
SMILES[2H][13C]([2H])(O)Cc1ccccc1
InChIInChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/i7+1D2
InChIKeyWRMNZCZEMHIOCP-PCXFDFCJSA-N
MW125.17 g/mol
LogP1.22
Rot. Bonds2

About 1,1-dideuterio-2-phenyl(113C)ethanol

1,1-dideuterio-2-phenyl(113C)ethanol (PubChem CID 10419181) has the molecular formula C8H10O and a molecular weight of 125.17 g/mol. Its IUPAC name is 1,1-dideuterio-2-phenyl(113C)ethanol.

Molecular Properties

Compound Name1,1-dideuterio-2-phenyl(113C)ethanol
PubChem CID10419181
Molecular FormulaC8H10O
Molecular Weight125.17 g/mol
Exact Mass125.09
IUPAC Name1,1-dideuterio-2-phenyl(113C)ethanol
SMILES[2H][13C]([2H])(O)Cc1ccccc1
InChIInChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/i7+1D2
InChIKeyWRMNZCZEMHIOCP-PCXFDFCJSA-N
XLogP1.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzene;2-phenylethylbenzene
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formaldehyde;2-phenylethanol
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alumane;2-phenylethylbenzene;hydrobromide
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4-phenylbutylbenzene
CID 141301927
N-isocyano-N-(2-phenylethyl)hydroxylamine
CID 172700292
(2-deuterio-4-methylpent-3-enyl)benzene
CID 84820233
(2R)-5-phenylpentane-1,2-diol
CID 102483629
2,2-dideuterio-1,3-diphenylpropan-1-one
CID 23727371
phenylmethanol;zirconium
CID 18688174
hafnium;4-phenylbutylbenzene
CID 175889972

Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-2-phenyl(113C)ethanol?
The IUPAC name of 1,1-dideuterio-2-phenyl(113C)ethanol (CID 10419181) is 1,1-dideuterio-2-phenyl(113C)ethanol.
What is the SMILES notation for 1,1-dideuterio-2-phenyl(113C)ethanol?
The canonical SMILES for 1,1-dideuterio-2-phenyl(113C)ethanol is [2H][13C]([2H])(O)Cc1ccccc1.
What is the InChIKey of 1,1-dideuterio-2-phenyl(113C)ethanol?
The InChIKey is WRMNZCZEMHIOCP-PCXFDFCJSA-N. The full InChI is InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/i7+1D2.
What are the key properties of 1,1-dideuterio-2-phenyl(113C)ethanol?
1,1-dideuterio-2-phenyl(113C)ethanol has a molecular weight of 125.17 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-2-phenyl(113C)ethanol is sourced from PubChem (CID 10419181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).