[(1R,2R)-2-(benzoyloxymethyl)-2-(hydroxymethyl)cyclopropyl]methyl benzoate

C20H20O5 — CID 10545102

IUPAC[(1R,2R)-2-(benzoyloxymethyl)-2-(hydroxymethyl)cyclopropyl]methyl benzoate
SMILESO=C(OC[C@@H]1C[C@@]1(CO)COC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O5/c21-13-20(14-25-19(23)16-9-5-2-6-10-16)11-17(20)12-24-18(22)15-7-3-1-4-8-15/h1-10,17,21H,11-14H2/t17-,20+/m0/s1
InChIKeyYRZPQBRVXPDGOX-FXAWDEMLSA-N
MW340.38 g/mol
LogP2.70
Rot. Bonds7

About [(1R,2R)-2-(benzoyloxymethyl)-2-(hydroxymethyl)cyclopropyl]methyl benzoate

[(1R,2R)-2-(benzoyloxymethyl)-2-(hydroxymethyl)cyclopropyl]methyl benzoate (PubChem CID 10545102) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is [(1R,2R)-2-(benzoyloxymethyl)-2-(hydroxymethyl)cyclopropyl]methyl benzoate.

Molecular Properties

Compound Name[(1R,2R)-2-(benzoyloxymethyl)-2-(hydroxymethyl)cyclopropyl]methyl benzoate
PubChem CID10545102
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name[(1R,2R)-2-(benzoyloxymethyl)-2-(hydroxymethyl)cyclopropyl]methyl benzoate
SMILESO=C(OC[C@@H]1C[C@@]1(CO)COC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O5/c21-13-20(14-25-19(23)16-9-5-2-6-10-16)11-17(20)12-24-18(22)15-7-3-1-4-8-15/h1-10,17,21H,11-14H2/t17-,20+/m0/s1
InChIKeyYRZPQBRVXPDGOX-FXAWDEMLSA-N
XLogP2.70
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2,2-bis(hydroxymethyl)cyclopropyl]methyl benzoate
CID 10823698
[(1S,2S)-2-(benzoyloxymethyl)-2-[(4-methylphenyl)sulfonyloxymethyl]cyclopropyl]methyl benzoate
CID 11799379
[(1R,2S)-2-(benzoyloxymethyl)-2-[(4-methylphenyl)sulfonyloxymethyl]cyclopropyl]methyl benzoate
CID 10719995
[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl benzoate
CID 155905212
[1-(benzoyloxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl benzoate
CID 59525184
[2-(hydroxymethyl)-1,3-dioxan-2-yl]methyl benzoate
CID 59792406
[4-(benzoyloxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl benzoate
CID 59525180
1-(benzoyloxymethyl)cyclopropane-1-carboxylic acid
CID 174589063
(1-methylcyclopropyl)methyl benzoate
CID 10465127
[(5S,14R)-14-(benzoyloxymethyl)-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-5-yl]methyl benzoate
CID 10625077
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924
[(2R,5S)-5-(benzoyloxymethyl)-1,4-dioxan-2-yl]methyl benzoate
CID 1040756

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(benzoyloxymethyl)-2-(hydroxymethyl)cyclopropyl]methyl benzoate?
The IUPAC name of [(1R,2R)-2-(benzoyloxymethyl)-2-(hydroxymethyl)cyclopropyl]methyl benzoate (CID 10545102) is [(1R,2R)-2-(benzoyloxymethyl)-2-(hydroxymethyl)cyclopropyl]methyl benzoate.
What is the SMILES notation for [(1R,2R)-2-(benzoyloxymethyl)-2-(hydroxymethyl)cyclopropyl]methyl benzoate?
The canonical SMILES for [(1R,2R)-2-(benzoyloxymethyl)-2-(hydroxymethyl)cyclopropyl]methyl benzoate is O=C(OC[C@@H]1C[C@@]1(CO)COC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2R)-2-(benzoyloxymethyl)-2-(hydroxymethyl)cyclopropyl]methyl benzoate?
The InChIKey is YRZPQBRVXPDGOX-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H20O5/c21-13-20(14-25-19(23)16-9-5-2-6-10-16)11-17(20)12-24-18(22)15-7-3-1-4-8-15/h1-10,17,21H,11-14H2/t17-,20+/m0/s1.
What are the key properties of [(1R,2R)-2-(benzoyloxymethyl)-2-(hydroxymethyl)cyclopropyl]methyl benzoate?
[(1R,2R)-2-(benzoyloxymethyl)-2-(hydroxymethyl)cyclopropyl]methyl benzoate has a molecular weight of 340.38 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(benzoyloxymethyl)-2-(hydroxymethyl)cyclopropyl]methyl benzoate is sourced from PubChem (CID 10545102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).