methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate

C15H20O4 — CID 72501445

IUPACmethyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
SMILESCOC(=O)CC1CCC(COCc2ccccc2)O1
InChIInChI=1S/C15H20O4/c1-17-15(16)9-13-7-8-14(19-13)11-18-10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyHESIPYTXGSSTMB-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.31
Rot. Bonds6

About methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate

methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate (PubChem CID 72501445) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
PubChem CID72501445
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
SMILESCOC(=O)CC1CCC(COCc2ccccc2)O1
InChIInChI=1S/C15H20O4/c1-17-15(16)9-13-7-8-14(19-13)11-18-10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyHESIPYTXGSSTMB-UHFFFAOYSA-N
XLogP2.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 2-[(2R,6S)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 102144353
methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate
CID 59252300
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
methyl 2-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 126561419
methyl 2-[(9S)-7-(phenylmethoxymethyl)spiro[3,5,8,13-tetraoxatricyclo[7.4.0.02,6]tridecane-4,1'-cyclohexane]-12-yl]acetate
CID 167058962
[(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate
CID 125485988
2-[[5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-N,N-dipropylacetamide
CID 12888743
methyl 2-[(2S,3S,4R,5R,6R)-6-(aminomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]acetate
CID 11145593
2-bromo-1-[5-(phenylmethoxymethyl)oxolan-2-yl]ethanone
CID 155043251
methyl (2S,3R)-3-(phenylmethoxymethyl)oxirane-2-carboxylate
CID 101113540
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate?
The IUPAC name of methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate (CID 72501445) is methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate is COC(=O)CC1CCC(COCc2ccccc2)O1.
What is the InChIKey of methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate?
The InChIKey is HESIPYTXGSSTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-17-15(16)9-13-7-8-14(19-13)11-18-10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3.
What are the key properties of methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate?
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate has a molecular weight of 264.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate is sourced from PubChem (CID 72501445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).