2-methoxy-1-(oxolan-3-yl)-2-phenylethanol

C13H18O3 — CID 116756910

IUPAC2-methoxy-1-(oxolan-3-yl)-2-phenylethanol
SMILESCOC(c1ccccc1)C(O)C1CCOC1
InChIInChI=1S/C13H18O3/c1-15-13(10-5-3-2-4-6-10)12(14)11-7-8-16-9-11/h2-6,11-14H,7-9H2,1H3
InChIKeyCIFPAWUSVTXOLU-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.77
Rot. Bonds4

About 2-methoxy-1-(oxolan-3-yl)-2-phenylethanol

2-methoxy-1-(oxolan-3-yl)-2-phenylethanol (PubChem CID 116756910) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-methoxy-1-(oxolan-3-yl)-2-phenylethanol.

Molecular Properties

Compound Name2-methoxy-1-(oxolan-3-yl)-2-phenylethanol
PubChem CID116756910
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-methoxy-1-(oxolan-3-yl)-2-phenylethanol
SMILESCOC(c1ccccc1)C(O)C1CCOC1
InChIInChI=1S/C13H18O3/c1-15-13(10-5-3-2-4-6-10)12(14)11-7-8-16-9-11/h2-6,11-14H,7-9H2,1H3
InChIKeyCIFPAWUSVTXOLU-UHFFFAOYSA-N
XLogP1.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 89553
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CID 98072
D-Ribitol, 1,4-anhydro-1-C-phenyl-, (1S)-
CID 5271317
1-(Benzyloxy)propan-2-ol
CID 295955
3-(Benzyloxy)propane-1,2-diol
CID 6950841
Benzeneethanol, beta-methoxy-
CID 102910
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(4-methylphenyl)phenyl]oxane-3,4,5-triol
CID 9797582
(2S,3R,4R,5S,6R)-2-[3-[(4-ethylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 9798876
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-(4-methylbenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triol
CID 9862956
(2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 10125816
Benzyl beta-D-ribofuranoside
CID 11149145

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(oxolan-3-yl)-2-phenylethanol?
The IUPAC name of 2-methoxy-1-(oxolan-3-yl)-2-phenylethanol (CID 116756910) is 2-methoxy-1-(oxolan-3-yl)-2-phenylethanol.
What is the SMILES notation for 2-methoxy-1-(oxolan-3-yl)-2-phenylethanol?
The canonical SMILES for 2-methoxy-1-(oxolan-3-yl)-2-phenylethanol is COC(c1ccccc1)C(O)C1CCOC1.
What is the InChIKey of 2-methoxy-1-(oxolan-3-yl)-2-phenylethanol?
The InChIKey is CIFPAWUSVTXOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-15-13(10-5-3-2-4-6-10)12(14)11-7-8-16-9-11/h2-6,11-14H,7-9H2,1H3.
What are the key properties of 2-methoxy-1-(oxolan-3-yl)-2-phenylethanol?
2-methoxy-1-(oxolan-3-yl)-2-phenylethanol has a molecular weight of 222.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(oxolan-3-yl)-2-phenylethanol is sourced from PubChem (CID 116756910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).