[2-(benzoyloxymethyl)furan-3-yl]methyl benzoate

C20H16O5 — CID 70973154

IUPAC[2-(benzoyloxymethyl)furan-3-yl]methyl benzoate
SMILESO=C(OCc1ccoc1COC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16O5/c21-19(15-7-3-1-4-8-15)24-13-17-11-12-23-18(17)14-25-20(22)16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyHVAYRJJNYCKIMU-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.99
Rot. Bonds6

About [2-(benzoyloxymethyl)furan-3-yl]methyl benzoate

[2-(benzoyloxymethyl)furan-3-yl]methyl benzoate (PubChem CID 70973154) has the molecular formula C20H16O5 and a molecular weight of 336.34 g/mol. Its IUPAC name is [2-(benzoyloxymethyl)furan-3-yl]methyl benzoate.

Molecular Properties

Compound Name[2-(benzoyloxymethyl)furan-3-yl]methyl benzoate
PubChem CID70973154
Molecular FormulaC20H16O5
Molecular Weight336.34 g/mol
Exact Mass336.10
IUPAC Name[2-(benzoyloxymethyl)furan-3-yl]methyl benzoate
SMILESO=C(OCc1ccoc1COC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16O5/c21-19(15-7-3-1-4-8-15)24-13-17-11-12-23-18(17)14-25-20(22)16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyHVAYRJJNYCKIMU-UHFFFAOYSA-N
XLogP3.99
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxy-4-oxopyran-2-yl)methyl benzoate
CID 86206329
benzyl benzoate
CID 2345
1,3-dioxol-4-ylmethyl benzoate
CID 175693706
benzyl benzoate;2-phenylacetic acid
CID 70386781
[3,5-bis(bromomethyl)phenyl]methyl benzoate
CID 102160107
azane;(2,3,4-trimethylphenyl)methyl benzoate
CID 67826555
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl benzoate
CID 7868386
methyl (4aR,5S)-5-[2-[2-(benzoyloxymethyl)furan-3-yl]ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
CID 44656472
potassium hydroxymethyl benzoate
CID 22993318
2-benzoyloxyethyl benzoate;ethene
CID 67969171
(2-amino-3,5-dibromophenyl)methyl benzoate
CID 154191248
benzyl acetate;benzyl benzoate
CID 158805672

Frequently Asked Questions

What is the IUPAC name of [2-(benzoyloxymethyl)furan-3-yl]methyl benzoate?
The IUPAC name of [2-(benzoyloxymethyl)furan-3-yl]methyl benzoate (CID 70973154) is [2-(benzoyloxymethyl)furan-3-yl]methyl benzoate.
What is the SMILES notation for [2-(benzoyloxymethyl)furan-3-yl]methyl benzoate?
The canonical SMILES for [2-(benzoyloxymethyl)furan-3-yl]methyl benzoate is O=C(OCc1ccoc1COC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzoyloxymethyl)furan-3-yl]methyl benzoate?
The InChIKey is HVAYRJJNYCKIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O5/c21-19(15-7-3-1-4-8-15)24-13-17-11-12-23-18(17)14-25-20(22)16-9-5-2-6-10-16/h1-12H,13-14H2.
What are the key properties of [2-(benzoyloxymethyl)furan-3-yl]methyl benzoate?
[2-(benzoyloxymethyl)furan-3-yl]methyl benzoate has a molecular weight of 336.34 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzoyloxymethyl)furan-3-yl]methyl benzoate is sourced from PubChem (CID 70973154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).