1-(2-methoxy-2-phenylethoxy)propan-2-ol

C12H18O3 — CID 59464511

IUPAC1-(2-methoxy-2-phenylethoxy)propan-2-ol
SMILESCOC(COCC(C)O)c1ccccc1
InChIInChI=1S/C12H18O3/c1-10(13)8-15-9-12(14-2)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3
InChIKeyCWIQMIICNKZIIS-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.77
Rot. Bonds6

About 1-(2-methoxy-2-phenylethoxy)propan-2-ol

1-(2-methoxy-2-phenylethoxy)propan-2-ol (PubChem CID 59464511) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(2-methoxy-2-phenylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxy-2-phenylethoxy)propan-2-ol
PubChem CID59464511
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(2-methoxy-2-phenylethoxy)propan-2-ol
SMILESCOC(COCC(C)O)c1ccccc1
InChIInChI=1S/C12H18O3/c1-10(13)8-15-9-12(14-2)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3
InChIKeyCWIQMIICNKZIIS-UHFFFAOYSA-N
XLogP1.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-2-ethoxy-1-methoxyethyl]benzene
CID 155459528
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
[(2R)-2-methoxy-2-phenylethyl] [(2S)-2-methoxy-2-phenylethyl] carbonate
CID 102443903
(2R)-2-methoxy-2-phenylethanol
CID 6950345
1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene
CID 59464469
1-[2-[1-phenyl-2-(3-phenylpropoxy)ethoxy]ethoxy]propan-2-ol
CID 58479078
1-(1-phenylbutoxy)propan-2-ol
CID 139655590
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(1R)-1-[4-[(1S)-1,2-dimethoxyethyl]phenyl]ethanol
CID 124500385
1-[4-(1,2-dimethoxyethyl)phenyl]ethanol
CID 102543604
[(1S)-2-deuteriooxy-1-methoxyethyl]benzene
CID 140824843
3-methoxy-3-phenylpropanoic acid
CID 13379217

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-phenylethoxy)propan-2-ol?
The IUPAC name of 1-(2-methoxy-2-phenylethoxy)propan-2-ol (CID 59464511) is 1-(2-methoxy-2-phenylethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-methoxy-2-phenylethoxy)propan-2-ol?
The canonical SMILES for 1-(2-methoxy-2-phenylethoxy)propan-2-ol is COC(COCC(C)O)c1ccccc1.
What is the InChIKey of 1-(2-methoxy-2-phenylethoxy)propan-2-ol?
The InChIKey is CWIQMIICNKZIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-10(13)8-15-9-12(14-2)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3.
What are the key properties of 1-(2-methoxy-2-phenylethoxy)propan-2-ol?
1-(2-methoxy-2-phenylethoxy)propan-2-ol has a molecular weight of 210.27 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-phenylethoxy)propan-2-ol is sourced from PubChem (CID 59464511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).