[(1S)-2-deuteriooxy-1-methoxyethyl]benzene

C9H12O2 — CID 140824843

IUPAC[(1S)-2-deuteriooxy-1-methoxyethyl]benzene
SMILES[2H]OC[C@@H](OC)c1ccccc1
InChIInChI=1S/C9H12O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m1/s1/i10D
InChIKeyJDTUPLBMGDDPJS-KVQLGUCBSA-N
MW153.20 g/mol
LogP1.37
Rot. Bonds4

About [(1S)-2-deuteriooxy-1-methoxyethyl]benzene

[(1S)-2-deuteriooxy-1-methoxyethyl]benzene (PubChem CID 140824843) has the molecular formula C9H12O2 and a molecular weight of 153.20 g/mol. Its IUPAC name is [(1S)-2-deuteriooxy-1-methoxyethyl]benzene.

Molecular Properties

Compound Name[(1S)-2-deuteriooxy-1-methoxyethyl]benzene
PubChem CID140824843
Molecular FormulaC9H12O2
Molecular Weight153.20 g/mol
Exact Mass153.09
IUPAC Name[(1S)-2-deuteriooxy-1-methoxyethyl]benzene
SMILES[2H]OC[C@@H](OC)c1ccccc1
InChIInChI=1S/C9H12O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m1/s1/i10D
InChIKeyJDTUPLBMGDDPJS-KVQLGUCBSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1S)-2-deuteriooxy-1-methoxyethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-methoxy-2-phenylethanol
CID 6950345
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
3-methoxy-3-phenylpropanoic acid
CID 13379217
1,2-bis(2-methoxy-2-phenylethyl)benzene
CID 90884874
(2-methoxy-2-phenylethyl) thiocyanate
CID 150744738
[(2R)-2-methoxy-2-phenylethyl] [(2S)-2-methoxy-2-phenylethyl] carbonate
CID 102443903
1-(2-methoxy-2-phenylethoxy)propan-2-ol
CID 59464511
[(1S)-2-ethoxy-1-methoxyethyl]benzene
CID 155459528
N-iodo-2-methoxy-2-phenylethanamine
CID 175279844
2-[(2-methoxy-2-phenylethyl)amino]-1-phenylethanol
CID 110176855
(2S)-4-methoxy-4-phenyl-2-trimethylsilylbutan-2-ol
CID 102301293
N-[(2S)-2-methoxy-2-phenylethyl]-N-methylprop-1-en-2-amine
CID 156874668

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-deuteriooxy-1-methoxyethyl]benzene?
The IUPAC name of [(1S)-2-deuteriooxy-1-methoxyethyl]benzene (CID 140824843) is [(1S)-2-deuteriooxy-1-methoxyethyl]benzene.
What is the SMILES notation for [(1S)-2-deuteriooxy-1-methoxyethyl]benzene?
The canonical SMILES for [(1S)-2-deuteriooxy-1-methoxyethyl]benzene is [2H]OC[C@@H](OC)c1ccccc1.
What is the InChIKey of [(1S)-2-deuteriooxy-1-methoxyethyl]benzene?
The InChIKey is JDTUPLBMGDDPJS-KVQLGUCBSA-N. The full InChI is InChI=1S/C9H12O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m1/s1/i10D.
What are the key properties of [(1S)-2-deuteriooxy-1-methoxyethyl]benzene?
[(1S)-2-deuteriooxy-1-methoxyethyl]benzene has a molecular weight of 153.20 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-deuteriooxy-1-methoxyethyl]benzene is sourced from PubChem (CID 140824843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).