2-(3-phenylmethoxyoxetan-3-yl)ethanol

C12H16O3 — CID 130202999

IUPAC2-(3-phenylmethoxyoxetan-3-yl)ethanol
SMILESOCCC1(OCc2ccccc2)COC1
InChIInChI=1S/C12H16O3/c13-7-6-12(9-14-10-12)15-8-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKeyDNDYXRLLHQICBB-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.35
Rot. Bonds5

About 2-(3-phenylmethoxyoxetan-3-yl)ethanol

2-(3-phenylmethoxyoxetan-3-yl)ethanol (PubChem CID 130202999) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3-phenylmethoxyoxetan-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-phenylmethoxyoxetan-3-yl)ethanol
PubChem CID130202999
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(3-phenylmethoxyoxetan-3-yl)ethanol
SMILESOCCC1(OCc2ccccc2)COC1
InChIInChI=1S/C12H16O3/c13-7-6-12(9-14-10-12)15-8-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKeyDNDYXRLLHQICBB-UHFFFAOYSA-N
XLogP1.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-phenylmethoxyoxolan-3-yl)methanamine
CID 115025185
[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
CID 159973315
[(2R)-2-benzyloxiran-2-yl]methanol
CID 15072879
tert-butyl 3-phenylmethoxyoxetane-3-carboxylate
CID 165386244
2-(1-phenylmethoxycycloheptyl)ethanamine
CID 115046142
(1-phenylmethoxycyclopentyl)methanamine
CID 62107893
4-[(2R,3R)-3-methyl-2-phenylmethoxyoxiran-2-yl]butan-1-ol
CID 101093358
[1-(iodomethyl)cyclohexyl]oxymethylbenzene
CID 114772517
3-(2-phenylethyl)oxetan-3-ol
CID 83683318
2-[1-(2-phenylmethoxyethyl)cyclohexyl]ethanol
CID 59714985
methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate
CID 129285191
benzyl (2S)-2-(hydroxymethyl)oxirane-2-carboxylate
CID 130249482

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxyoxetan-3-yl)ethanol?
The IUPAC name of 2-(3-phenylmethoxyoxetan-3-yl)ethanol (CID 130202999) is 2-(3-phenylmethoxyoxetan-3-yl)ethanol.
What is the SMILES notation for 2-(3-phenylmethoxyoxetan-3-yl)ethanol?
The canonical SMILES for 2-(3-phenylmethoxyoxetan-3-yl)ethanol is OCCC1(OCc2ccccc2)COC1.
What is the InChIKey of 2-(3-phenylmethoxyoxetan-3-yl)ethanol?
The InChIKey is DNDYXRLLHQICBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-7-6-12(9-14-10-12)15-8-11-4-2-1-3-5-11/h1-5,13H,6-10H2.
What are the key properties of 2-(3-phenylmethoxyoxetan-3-yl)ethanol?
2-(3-phenylmethoxyoxetan-3-yl)ethanol has a molecular weight of 208.26 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxyoxetan-3-yl)ethanol is sourced from PubChem (CID 130202999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).