[(5R)-5-methoxy-2,5-dihydrofuran-2-yl]methyl 4-methylbenzoate

C14H16O4 — CID 163794761

IUPAC[(5R)-5-methoxy-2,5-dihydrofuran-2-yl]methyl 4-methylbenzoate
SMILESCO[C@H]1C=CC(COC(=O)c2ccc(C)cc2)O1
InChIInChI=1S/C14H16O4/c1-10-3-5-11(6-4-10)14(15)17-9-12-7-8-13(16-2)18-12/h3-8,12-13H,9H2,1-2H3/t12?,13-/m1/s1
InChIKeyMZUWXJCUSAZDMP-ZGTCLIOFSA-N
MW248.28 g/mol
LogP2.08
Rot. Bonds4

About [(5R)-5-methoxy-2,5-dihydrofuran-2-yl]methyl 4-methylbenzoate

[(5R)-5-methoxy-2,5-dihydrofuran-2-yl]methyl 4-methylbenzoate (PubChem CID 163794761) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is [(5R)-5-methoxy-2,5-dihydrofuran-2-yl]methyl 4-methylbenzoate.

Molecular Properties

Compound Name[(5R)-5-methoxy-2,5-dihydrofuran-2-yl]methyl 4-methylbenzoate
PubChem CID163794761
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name[(5R)-5-methoxy-2,5-dihydrofuran-2-yl]methyl 4-methylbenzoate
SMILESCO[C@H]1C=CC(COC(=O)c2ccc(C)cc2)O1
InChIInChI=1S/C14H16O4/c1-10-3-5-11(6-4-10)14(15)17-9-12-7-8-13(16-2)18-12/h3-8,12-13H,9H2,1-2H3/t12?,13-/m1/s1
InChIKeyMZUWXJCUSAZDMP-ZGTCLIOFSA-N
XLogP2.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2R,3R,4R,5R)-5-methoxy-3,4-bis(methylsulfanylcarbothioyloxy)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,5R)-5-methoxy-2,5-dihydrofuran-2-yl]methyl 4-methylbenzoate
CID 162052417
[(2R,3S)-3,5-dihydroxyoxolan-2-yl]methyl 4-methylbenzoate
CID 169437438
[(2S,3R)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
CID 10992623
[(3R,4S,6R)-6-methoxy-3-methyl-4,5-bis[(4-methylbenzoyl)oxy]oxan-2-yl]methyl 4-methylbenzoate
CID 91256999
[(2S,3S,4S)-5-hydroxy-3,4-bis[(4-methylbenzoyl)oxy]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3S,4S)-5-methoxy-3,4-bis[(4-methylbenzoyl)oxy]oxolan-2-yl]methyl 4-methylbenzoate
CID 159986412
[(2R,3R,4R,5S)-5-methoxy-4-(2-methoxyethoxy)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
CID 11144948
(5-hydroxyoxolan-2-yl)methyl 4-methylbenzoate;N-methylmethanamine
CID 142544191
[(2S,3R,4R,5R)-4,5-dihydroxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
CID 1273823
[(2R,3R,4S,5R,6S)-6-bromo-3,4,5-tris[(4-methylbenzoyl)oxy]oxan-2-yl]methyl 4-methylbenzoate
CID 134878301
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
[(2R,3R,4R,5S)-5-acetyloxy-3,4-bis[(4-methylbenzoyl)oxy]oxolan-2-yl]methyl 4-methylbenzoate
CID 22882839

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-methoxy-2,5-dihydrofuran-2-yl]methyl 4-methylbenzoate?
The IUPAC name of [(5R)-5-methoxy-2,5-dihydrofuran-2-yl]methyl 4-methylbenzoate (CID 163794761) is [(5R)-5-methoxy-2,5-dihydrofuran-2-yl]methyl 4-methylbenzoate.
What is the SMILES notation for [(5R)-5-methoxy-2,5-dihydrofuran-2-yl]methyl 4-methylbenzoate?
The canonical SMILES for [(5R)-5-methoxy-2,5-dihydrofuran-2-yl]methyl 4-methylbenzoate is CO[C@H]1C=CC(COC(=O)c2ccc(C)cc2)O1.
What is the InChIKey of [(5R)-5-methoxy-2,5-dihydrofuran-2-yl]methyl 4-methylbenzoate?
The InChIKey is MZUWXJCUSAZDMP-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H16O4/c1-10-3-5-11(6-4-10)14(15)17-9-12-7-8-13(16-2)18-12/h3-8,12-13H,9H2,1-2H3/t12?,13-/m1/s1.
What are the key properties of [(5R)-5-methoxy-2,5-dihydrofuran-2-yl]methyl 4-methylbenzoate?
[(5R)-5-methoxy-2,5-dihydrofuran-2-yl]methyl 4-methylbenzoate has a molecular weight of 248.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-methoxy-2,5-dihydrofuran-2-yl]methyl 4-methylbenzoate is sourced from PubChem (CID 163794761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).