methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate

C14H18O4 — CID 135058981

IUPACmethyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccc(OC)cc1)[C@@H]1CCCO1
InChIInChI=1S/C14H18O4/c1-16-11-7-5-10(6-8-11)13(14(15)17-2)12-4-3-9-18-12/h5-8,12-13H,3-4,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyNWLVSJGCTOKCAU-QWHCGFSZSA-N
MW250.29 g/mol
LogP2.13
Rot. Bonds4

About methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate

methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate (PubChem CID 135058981) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate
PubChem CID135058981
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccc(OC)cc1)[C@@H]1CCCO1
InChIInChI=1S/C14H18O4/c1-16-11-7-5-10(6-8-11)13(14(15)17-2)12-4-3-9-18-12/h5-8,12-13H,3-4,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyNWLVSJGCTOKCAU-QWHCGFSZSA-N
XLogP2.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate?
The IUPAC name of methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate (CID 135058981) is methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate is COC(=O)[C@H](c1ccc(OC)cc1)[C@@H]1CCCO1.
What is the InChIKey of methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate?
The InChIKey is NWLVSJGCTOKCAU-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H18O4/c1-16-11-7-5-10(6-8-11)13(14(15)17-2)12-4-3-9-18-12/h5-8,12-13H,3-4,9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate?
methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate has a molecular weight of 250.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate is sourced from PubChem (CID 135058981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).