(1S)-1-deuterio-2-phenylmethoxyethanol

C9H12O2 — CID 136712283

IUPAC(1S)-1-deuterio-2-phenylmethoxyethanol
SMILES[2H][C@H](O)COCc1ccccc1
InChIInChI=1S/C9H12O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2/i6D/t6-/m0/s1
InChIKeyCUZKCNWZBXLAJX-UDMJAYEVSA-N
MW153.20 g/mol
LogP1.20
Rot. Bonds4

About (1S)-1-deuterio-2-phenylmethoxyethanol

(1S)-1-deuterio-2-phenylmethoxyethanol (PubChem CID 136712283) has the molecular formula C9H12O2 and a molecular weight of 153.20 g/mol. Its IUPAC name is (1S)-1-deuterio-2-phenylmethoxyethanol.

Molecular Properties

Compound Name(1S)-1-deuterio-2-phenylmethoxyethanol
PubChem CID136712283
Molecular FormulaC9H12O2
Molecular Weight153.20 g/mol
Exact Mass153.09
IUPAC Name(1S)-1-deuterio-2-phenylmethoxyethanol
SMILES[2H][C@H](O)COCc1ccccc1
InChIInChI=1S/C9H12O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2/i6D/t6-/m0/s1
InChIKeyCUZKCNWZBXLAJX-UDMJAYEVSA-N
XLogP1.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
CID 66734377
CID 66734377
2-iodoethoxymethylbenzene
CID 10355314
butoxymethylbenzene;ethane
CID 145341806
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
(9-bromo-9,9-dideuteriononoxy)methylbenzene
CID 162744112
(2S)-15-phenylmethoxypentadecane-1,2-diol
CID 101081021
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
[3-(2-phenylmethoxyethyl)phenyl]methanol
CID 59371444
(2R)-2-fluoro-4-phenylmethoxybutan-1-ol
CID 129405204

Frequently Asked Questions

What is the IUPAC name of (1S)-1-deuterio-2-phenylmethoxyethanol?
The IUPAC name of (1S)-1-deuterio-2-phenylmethoxyethanol (CID 136712283) is (1S)-1-deuterio-2-phenylmethoxyethanol.
What is the SMILES notation for (1S)-1-deuterio-2-phenylmethoxyethanol?
The canonical SMILES for (1S)-1-deuterio-2-phenylmethoxyethanol is [2H][C@H](O)COCc1ccccc1.
What is the InChIKey of (1S)-1-deuterio-2-phenylmethoxyethanol?
The InChIKey is CUZKCNWZBXLAJX-UDMJAYEVSA-N. The full InChI is InChI=1S/C9H12O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2/i6D/t6-/m0/s1.
What are the key properties of (1S)-1-deuterio-2-phenylmethoxyethanol?
(1S)-1-deuterio-2-phenylmethoxyethanol has a molecular weight of 153.20 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-deuterio-2-phenylmethoxyethanol is sourced from PubChem (CID 136712283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).