3-ethoxy-2-phenylmethoxypropan-1-ol

C12H18O3 — CID 154048431

IUPAC3-ethoxy-2-phenylmethoxypropan-1-ol
SMILESCCOCC(CO)OCc1ccccc1
InChIInChI=1S/C12H18O3/c1-2-14-10-12(8-13)15-9-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChIKeyRNVHINKGTDHQGC-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.60
Rot. Bonds7

About 3-ethoxy-2-phenylmethoxypropan-1-ol

3-ethoxy-2-phenylmethoxypropan-1-ol (PubChem CID 154048431) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-ethoxy-2-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name3-ethoxy-2-phenylmethoxypropan-1-ol
PubChem CID154048431
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3-ethoxy-2-phenylmethoxypropan-1-ol
SMILESCCOCC(CO)OCc1ccccc1
InChIInChI=1S/C12H18O3/c1-2-14-10-12(8-13)15-9-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChIKeyRNVHINKGTDHQGC-UHFFFAOYSA-N
XLogP1.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene
CID 155015010
3-chloro-2-phenylmethoxypropan-1-ol
CID 13356685
2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol
CID 171850384
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
(2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol
CID 162458936
3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol
CID 70144732
(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
CID 11831604
4-methyl-2-phenylmethoxypentan-1-ol
CID 53397722
2-phenylmethoxy-3-(2,2,4,4-tetramethyl-5-phenoxypentoxy)propan-1-ol
CID 149122103
2-ethoxy-2-phenylmethoxyethanol
CID 57263714
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
(2R)-2,3-diethoxypropan-1-ol
CID 129362297

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-phenylmethoxypropan-1-ol?
The IUPAC name of 3-ethoxy-2-phenylmethoxypropan-1-ol (CID 154048431) is 3-ethoxy-2-phenylmethoxypropan-1-ol.
What is the SMILES notation for 3-ethoxy-2-phenylmethoxypropan-1-ol?
The canonical SMILES for 3-ethoxy-2-phenylmethoxypropan-1-ol is CCOCC(CO)OCc1ccccc1.
What is the InChIKey of 3-ethoxy-2-phenylmethoxypropan-1-ol?
The InChIKey is RNVHINKGTDHQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-2-14-10-12(8-13)15-9-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3.
What are the key properties of 3-ethoxy-2-phenylmethoxypropan-1-ol?
3-ethoxy-2-phenylmethoxypropan-1-ol has a molecular weight of 210.27 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-phenylmethoxypropan-1-ol is sourced from PubChem (CID 154048431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).