methyl 2-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate

C14H18O4 — CID 139590244

IUPACmethyl 2-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate
SMILESCOC(=O)Cc1ccc2c(c1)C[C@H](C(C)(C)O)O2
InChIInChI=1S/C14H18O4/c1-14(2,16)12-8-10-6-9(7-13(15)17-3)4-5-11(10)18-12/h4-6,12,16H,7-8H2,1-3H3/t12-/m1/s1
InChIKeyGDYAJHUWOOEIEA-GFCCVEGCSA-N
MW250.29 g/mol
LogP1.48
Rot. Bonds3

About methyl 2-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate

methyl 2-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate (PubChem CID 139590244) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 2-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate
PubChem CID139590244
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl 2-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate
SMILESCOC(=O)Cc1ccc2c(c1)C[C@H](C(C)(C)O)O2
InChIInChI=1S/C14H18O4/c1-14(2,16)12-8-10-6-9(7-13(15)17-3)4-5-11(10)18-12/h4-6,12,16H,7-8H2,1-3H3/t12-/m1/s1
InChIKeyGDYAJHUWOOEIEA-GFCCVEGCSA-N
XLogP1.48
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate?
The IUPAC name of methyl 2-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate (CID 139590244) is methyl 2-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate is COC(=O)Cc1ccc2c(c1)C[C@H](C(C)(C)O)O2.
What is the InChIKey of methyl 2-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate?
The InChIKey is GDYAJHUWOOEIEA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18O4/c1-14(2,16)12-8-10-6-9(7-13(15)17-3)4-5-11(10)18-12/h4-6,12,16H,7-8H2,1-3H3/t12-/m1/s1.
What are the key properties of methyl 2-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate?
methyl 2-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate has a molecular weight of 250.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate is sourced from PubChem (CID 139590244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).