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

C13H16O4 — CID 129404823

IUPAC[(2R)-oxolan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
SMILESO=C(Cc1ccc(O)cc1)OC[C@H]1CCCO1
InChIInChI=1S/C13H16O4/c14-11-5-3-10(4-6-11)8-13(15)17-9-12-2-1-7-16-12/h3-6,12,14H,1-2,7-9H2/t12-/m1/s1
InChIKeySOFKGABTJTUFPG-GFCCVEGCSA-N
MW236.27 g/mol
LogP1.66
Rot. Bonds4

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

[(2R)-oxolan-2-yl]methyl 2-(4-hydroxyphenyl)acetate (PubChem CID 129404823) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl 2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
PubChem CID129404823
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name[(2R)-oxolan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
SMILESO=C(Cc1ccc(O)cc1)OC[C@H]1CCCO1
InChIInChI=1S/C13H16O4/c14-11-5-3-10(4-6-11)8-13(15)17-9-12-2-1-7-16-12/h3-6,12,14H,1-2,7-9H2/t12-/m1/s1
InChIKeySOFKGABTJTUFPG-GFCCVEGCSA-N
XLogP1.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-ylmethyl 2-(2-aminophenyl)acetate
CID 61308884
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
oxolan-2-ylmethyl 3-(4-chlorosulfonylphenyl)propanoate
CID 65376038
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate
CID 174203610
(4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
CID 141285444
oxolan-2-ylmethyl furan-2-carboxylate
CID 551325
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 78806114
oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate
CID 78833188
[(2S)-oxan-2-yl]methyl 2-(2-bromo-5-fluorophenyl)acetate
CID 99642168

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl 2-(4-hydroxyphenyl)acetate?
The IUPAC name of [(2R)-oxolan-2-yl]methyl 2-(4-hydroxyphenyl)acetate (CID 129404823) is [(2R)-oxolan-2-yl]methyl 2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl 2-(4-hydroxyphenyl)acetate?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl 2-(4-hydroxyphenyl)acetate is O=C(Cc1ccc(O)cc1)OC[C@H]1CCCO1.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl 2-(4-hydroxyphenyl)acetate?
The InChIKey is SOFKGABTJTUFPG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16O4/c14-11-5-3-10(4-6-11)8-13(15)17-9-12-2-1-7-16-12/h3-6,12,14H,1-2,7-9H2/t12-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl 2-(4-hydroxyphenyl)acetate?
[(2R)-oxolan-2-yl]methyl 2-(4-hydroxyphenyl)acetate has a molecular weight of 236.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl 2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 129404823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).