2-(1-ethoxypropan-2-yloxy)-1-phenylethanol

C13H20O3 — CID 103489701

IUPAC2-(1-ethoxypropan-2-yloxy)-1-phenylethanol
SMILESCCOCC(C)OCC(O)c1ccccc1
InChIInChI=1S/C13H20O3/c1-3-15-9-11(2)16-10-13(14)12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3
InChIKeyCVNUUDIZPKPASP-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.16
Rot. Bonds7

About 2-(1-ethoxypropan-2-yloxy)-1-phenylethanol

2-(1-ethoxypropan-2-yloxy)-1-phenylethanol (PubChem CID 103489701) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-yloxy)-1-phenylethanol.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yloxy)-1-phenylethanol
PubChem CID103489701
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-(1-ethoxypropan-2-yloxy)-1-phenylethanol
SMILESCCOCC(C)OCC(O)c1ccccc1
InChIInChI=1S/C13H20O3/c1-3-15-9-11(2)16-10-13(14)12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3
InChIKeyCVNUUDIZPKPASP-UHFFFAOYSA-N
XLogP2.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-(3-ethoxypropyl)phenyl]propan-2-yloxy]-1-phenylethanol
CID 166765433
1-phenyl-2-(1-phenylethoxy)ethanol
CID 57324442
2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol
CID 102983372
ethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene
CID 154661383
benzene;2-methoxy-1-phenylethanol
CID 174622919
(1-ethoxy-3-methylbutan-2-yl)benzene
CID 67083909
2-(2-ethoxyphenoxy)-1-phenylethanol
CID 60730563
(1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol
CID 155023348
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
ethoxymethylbenzene;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 174717970
1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989374
(1R)-4,4-diethoxy-1-phenylbutan-1-ol
CID 102265483

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-yloxy)-1-phenylethanol?
The IUPAC name of 2-(1-ethoxypropan-2-yloxy)-1-phenylethanol (CID 103489701) is 2-(1-ethoxypropan-2-yloxy)-1-phenylethanol.
What is the SMILES notation for 2-(1-ethoxypropan-2-yloxy)-1-phenylethanol?
The canonical SMILES for 2-(1-ethoxypropan-2-yloxy)-1-phenylethanol is CCOCC(C)OCC(O)c1ccccc1.
What is the InChIKey of 2-(1-ethoxypropan-2-yloxy)-1-phenylethanol?
The InChIKey is CVNUUDIZPKPASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-15-9-11(2)16-10-13(14)12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3.
What are the key properties of 2-(1-ethoxypropan-2-yloxy)-1-phenylethanol?
2-(1-ethoxypropan-2-yloxy)-1-phenylethanol has a molecular weight of 224.30 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-yloxy)-1-phenylethanol is sourced from PubChem (CID 103489701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).