ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate

C14H18O6 — CID 117453495

IUPACethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate
SMILESCCOC(=O)C(O)c1cccc(OC)c1OC1COC1
InChIInChI=1S/C14H18O6/c1-3-19-14(16)12(15)10-5-4-6-11(17-2)13(10)20-9-7-18-8-9/h4-6,9,12,15H,3,7-8H2,1-2H3
InChIKeyBWGKDMBGUJPASE-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.07
Rot. Bonds6

About ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate

ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate (PubChem CID 117453495) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate
PubChem CID117453495
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Nameethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate
SMILESCCOC(=O)C(O)c1cccc(OC)c1OC1COC1
InChIInChI=1S/C14H18O6/c1-3-19-14(16)12(15)10-5-4-6-11(17-2)13(10)20-9-7-18-8-9/h4-6,9,12,15H,3,7-8H2,1-2H3
InChIKeyBWGKDMBGUJPASE-UHFFFAOYSA-N
XLogP1.07
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate
CID 117449897
1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 117349251
ethyl 2-[(2,3-dimethoxyphenyl)-hydroxymethyl]butanoate
CID 62394370
2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 115005257
ethyl 2-[(2,3-dimethoxyphenyl)-hydroxymethyl]-3-methylbutanoate
CID 62397786
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone
CID 115005075
2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid
CID 117424076
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
ethyl 2,3-dihydroxy-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171865973
ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate
CID 115073347
3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid
CID 117442474
3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine
CID 117417553

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate?
The IUPAC name of ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate (CID 117453495) is ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate?
The canonical SMILES for ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate is CCOC(=O)C(O)c1cccc(OC)c1OC1COC1.
What is the InChIKey of ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate?
The InChIKey is BWGKDMBGUJPASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-3-19-14(16)12(15)10-5-4-6-11(17-2)13(10)20-9-7-18-8-9/h4-6,9,12,15H,3,7-8H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate?
ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate has a molecular weight of 282.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate is sourced from PubChem (CID 117453495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).