methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate

C14H18O5 — CID 71854632

IUPACmethyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC2(CO)COC2)cc1
InChIInChI=1S/C14H18O5/c1-17-13(16)6-11-2-4-12(5-3-11)19-10-14(7-15)8-18-9-14/h2-5,15H,6-10H2,1H3
InChIKeyREUCCYRKQOXJQM-UHFFFAOYSA-N
MW266.29 g/mol
LogP0.79
Rot. Bonds6

About methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate

methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate (PubChem CID 71854632) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate
PubChem CID71854632
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC2(CO)COC2)cc1
InChIInChI=1S/C14H18O5/c1-17-13(16)6-11-2-4-12(5-3-11)19-10-14(7-15)8-18-9-14/h2-5,15H,6-10H2,1H3
InChIKeyREUCCYRKQOXJQM-UHFFFAOYSA-N
XLogP0.79
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate
CID 117095002
CID 142556210
CID 142556210
3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid
CID 59767606
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
1-[2-fluoro-4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]ethanone
CID 111975975
[3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116930338
methyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate
CID 169157685
2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate
CID 58922054
methyl 2-[3-[4-[[3-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-2,6-dimethylphenyl]phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetate
CID 86301613
N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide
CID 113337518
methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate
CID 47096345
[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-phenylmethanone
CID 90438012

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate (CID 71854632) is methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate is COC(=O)Cc1ccc(OCC2(CO)COC2)cc1.
What is the InChIKey of methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate?
The InChIKey is REUCCYRKQOXJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-17-13(16)6-11-2-4-12(5-3-11)19-10-14(7-15)8-18-9-14/h2-5,15H,6-10H2,1H3.
What are the key properties of methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate?
methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate has a molecular weight of 266.29 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate is sourced from PubChem (CID 71854632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).