(1S,2R)-2-deuterio-1-phenylpropan-1-ol

C9H12O — CID 175690859

IUPAC(1S,2R)-2-deuterio-1-phenylpropan-1-ol
SMILES[2H][C@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-/m0/s1/i2D/t2-,9+/m1
InChIKeyDYUQAZSOFZSPHD-GQNYHBPNSA-N
MW137.20 g/mol
LogP2.13
Rot. Bonds2

About (1S,2R)-2-deuterio-1-phenylpropan-1-ol

(1S,2R)-2-deuterio-1-phenylpropan-1-ol (PubChem CID 175690859) has the molecular formula C9H12O and a molecular weight of 137.20 g/mol. Its IUPAC name is (1S,2R)-2-deuterio-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-deuterio-1-phenylpropan-1-ol
PubChem CID175690859
Molecular FormulaC9H12O
Molecular Weight137.20 g/mol
Exact Mass137.10
IUPAC Name(1S,2R)-2-deuterio-1-phenylpropan-1-ol
SMILES[2H][C@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-/m0/s1/i2D/t2-,9+/m1
InChIKeyDYUQAZSOFZSPHD-GQNYHBPNSA-N
XLogP2.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenylpropan-1-ol;hydrate
CID 156782934
(2S)-2-bromo-2-deuterio-1-phenylethanol
CID 71507175
dichloromethane;1-phenylpropan-1-ol
CID 175142848
2-dimethylphosphanyl-1-phenylethanol
CID 101386744
(1S)-1-phenylpentan-1-ol
CID 6992754
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
2-amino-1-phenylethanol;ethane
CID 91425169
(1R,5S)-1-phenyldecane-1,5-diol
CID 10879541
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
(1R)-1-phenyloctan-1-ol
CID 12794259
methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate
CID 25241509
(1S)-2-chloro-1-phenylethanol
CID 643323

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-deuterio-1-phenylpropan-1-ol?
The IUPAC name of (1S,2R)-2-deuterio-1-phenylpropan-1-ol (CID 175690859) is (1S,2R)-2-deuterio-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R)-2-deuterio-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2R)-2-deuterio-1-phenylpropan-1-ol is [2H][C@H](C)[C@H](O)c1ccccc1.
What is the InChIKey of (1S,2R)-2-deuterio-1-phenylpropan-1-ol?
The InChIKey is DYUQAZSOFZSPHD-GQNYHBPNSA-N. The full InChI is InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-/m0/s1/i2D/t2-,9+/m1.
What are the key properties of (1S,2R)-2-deuterio-1-phenylpropan-1-ol?
(1S,2R)-2-deuterio-1-phenylpropan-1-ol has a molecular weight of 137.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-deuterio-1-phenylpropan-1-ol is sourced from PubChem (CID 175690859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).