1-deuterio-1-phenylethanol

C8H10O — CID 15618812

IUPAC1-deuterio-1-phenylethanol
SMILES[2H]C(C)(O)c1ccccc1
InChIInChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/i7D
InChIKeyWAPNOHKVXSQRPX-WHRKIXHSSA-N
MW123.17 g/mol
LogP1.74
Rot. Bonds1

About 1-deuterio-1-phenylethanol

1-deuterio-1-phenylethanol (PubChem CID 15618812) has the molecular formula C8H10O and a molecular weight of 123.17 g/mol. Its IUPAC name is 1-deuterio-1-phenylethanol.

Molecular Properties

Compound Name1-deuterio-1-phenylethanol
PubChem CID15618812
Molecular FormulaC8H10O
Molecular Weight123.17 g/mol
Exact Mass123.08
IUPAC Name1-deuterio-1-phenylethanol
SMILES[2H]C(C)(O)c1ccccc1
InChIInChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/i7D
InChIKeyWAPNOHKVXSQRPX-WHRKIXHSSA-N
XLogP1.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-deuterio-1-phenylethanol?
The IUPAC name of 1-deuterio-1-phenylethanol (CID 15618812) is 1-deuterio-1-phenylethanol.
What is the SMILES notation for 1-deuterio-1-phenylethanol?
The canonical SMILES for 1-deuterio-1-phenylethanol is [2H]C(C)(O)c1ccccc1.
What is the InChIKey of 1-deuterio-1-phenylethanol?
The InChIKey is WAPNOHKVXSQRPX-WHRKIXHSSA-N. The full InChI is InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/i7D.
What are the key properties of 1-deuterio-1-phenylethanol?
1-deuterio-1-phenylethanol has a molecular weight of 123.17 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-1-phenylethanol is sourced from PubChem (CID 15618812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).