2-ethoxy-2-phenylmethoxyethanol

C11H16O3 — CID 57263714

IUPAC2-ethoxy-2-phenylmethoxyethanol
SMILESCCOC(CO)OCc1ccccc1
InChIInChI=1S/C11H16O3/c1-2-13-11(8-12)14-9-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
InChIKeyOKDXJCKNONIVRB-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.56
Rot. Bonds6

About 2-ethoxy-2-phenylmethoxyethanol

2-ethoxy-2-phenylmethoxyethanol (PubChem CID 57263714) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-ethoxy-2-phenylmethoxyethanol.

Molecular Properties

Compound Name2-ethoxy-2-phenylmethoxyethanol
PubChem CID57263714
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-ethoxy-2-phenylmethoxyethanol
SMILESCCOC(CO)OCc1ccccc1
InChIInChI=1S/C11H16O3/c1-2-13-11(8-12)14-9-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
InChIKeyOKDXJCKNONIVRB-UHFFFAOYSA-N
XLogP1.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-ethoxy-2-phenylmethoxyethyl) benzoate
CID 67036825
3-ethoxy-2-phenylmethoxypropan-1-ol
CID 154048431
3-methyl-2-phenylmethoxypentan-1-ol
CID 123785184
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
1-phenylmethoxyethanol;propane-1,2,3-triol
CID 157415371
(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
CID 11831604
(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804
1-phenylmethoxypropyl dihydrogen phosphate
CID 139431115
2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol
CID 139744930
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
4-methyl-2-phenylmethoxypentan-1-ol
CID 53397722

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-phenylmethoxyethanol?
The IUPAC name of 2-ethoxy-2-phenylmethoxyethanol (CID 57263714) is 2-ethoxy-2-phenylmethoxyethanol.
What is the SMILES notation for 2-ethoxy-2-phenylmethoxyethanol?
The canonical SMILES for 2-ethoxy-2-phenylmethoxyethanol is CCOC(CO)OCc1ccccc1.
What is the InChIKey of 2-ethoxy-2-phenylmethoxyethanol?
The InChIKey is OKDXJCKNONIVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-13-11(8-12)14-9-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3.
What are the key properties of 2-ethoxy-2-phenylmethoxyethanol?
2-ethoxy-2-phenylmethoxyethanol has a molecular weight of 196.25 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-phenylmethoxyethanol is sourced from PubChem (CID 57263714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).