[(2R)-4-oxo-1,3-dioxolan-2-yl]methyl 4-methoxybenzoate;(4-oxo-1,3-dioxolan-2-yl)methyl 4-methoxybenzoate

C24H24O12 — CID 159820989

IUPAC[(2R)-4-oxo-1,3-dioxolan-2-yl]methyl 4-methoxybenzoate;(4-oxo-1,3-dioxolan-2-yl)methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC2OCC(=O)O2)cc1.COc1ccc(C(=O)OC[C@@H]2OCC(=O)O2)cc1
InChIInChI=1S/2C12H12O6/c2*1-15-9-4-2-8(3-5-9)12(14)17-7-11-16-6-10(13)18-11/h2*2-5,11H,6-7H2,1H3/t11-;/m1./s1
InChIKeyNMFSCRLAMDUYRN-RFVHGSKJSA-N
MW504.44 g/mol
LogP1.50
Rot. Bonds8

About [(2R)-4-oxo-1,3-dioxolan-2-yl]methyl 4-methoxybenzoate;(4-oxo-1,3-dioxolan-2-yl)methyl 4-methoxybenzoate

[(2R)-4-oxo-1,3-dioxolan-2-yl]methyl 4-methoxybenzoate;(4-oxo-1,3-dioxolan-2-yl)methyl 4-methoxybenzoate (PubChem CID 159820989) has the molecular formula C24H24O12 and a molecular weight of 504.44 g/mol. Its IUPAC name is [(2R)-4-oxo-1,3-dioxolan-2-yl]methyl 4-methoxybenzoate;(4-oxo-1,3-dioxolan-2-yl)methyl 4-methoxybenzoate.

Molecular Properties

Compound Name[(2R)-4-oxo-1,3-dioxolan-2-yl]methyl 4-methoxybenzoate;(4-oxo-1,3-dioxolan-2-yl)methyl 4-methoxybenzoate
PubChem CID159820989
Molecular FormulaC24H24O12
Molecular Weight504.44 g/mol
Exact Mass504.13
IUPAC Name[(2R)-4-oxo-1,3-dioxolan-2-yl]methyl 4-methoxybenzoate;(4-oxo-1,3-dioxolan-2-yl)methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC2OCC(=O)O2)cc1.COc1ccc(C(=O)OC[C@@H]2OCC(=O)O2)cc1
InChIInChI=1S/2C12H12O6/c2*1-15-9-4-2-8(3-5-9)12(14)17-7-11-16-6-10(13)18-11/h2*2-5,11H,6-7H2,1H3/t11-;/m1./s1
InChIKeyNMFSCRLAMDUYRN-RFVHGSKJSA-N
XLogP1.50
TPSA142.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.44
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
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CID 46188310
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate
CID 22375919
2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone
CID 66570582
oxiran-2-ylmethyl 4-[4-(oxiran-2-ylmethoxycarbonyl)phenoxy]benzoate
CID 56615855
(4-methoxybenzoyl)oxymethyl 4-methylbenzoate
CID 134487475
(Z)-3-amino-4-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)but-2-en-1-one
CID 101175752
[(1S,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 4-methoxybenzoate
CID 6942190
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
[(1R,5S,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 4-methoxybenzoate
CID 1427381
[(1S,5R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 4-methoxybenzoate
CID 933701

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-oxo-1,3-dioxolan-2-yl]methyl 4-methoxybenzoate;(4-oxo-1,3-dioxolan-2-yl)methyl 4-methoxybenzoate?
The IUPAC name of [(2R)-4-oxo-1,3-dioxolan-2-yl]methyl 4-methoxybenzoate;(4-oxo-1,3-dioxolan-2-yl)methyl 4-methoxybenzoate (CID 159820989) is [(2R)-4-oxo-1,3-dioxolan-2-yl]methyl 4-methoxybenzoate;(4-oxo-1,3-dioxolan-2-yl)methyl 4-methoxybenzoate.
What is the SMILES notation for [(2R)-4-oxo-1,3-dioxolan-2-yl]methyl 4-methoxybenzoate;(4-oxo-1,3-dioxolan-2-yl)methyl 4-methoxybenzoate?
The canonical SMILES for [(2R)-4-oxo-1,3-dioxolan-2-yl]methyl 4-methoxybenzoate;(4-oxo-1,3-dioxolan-2-yl)methyl 4-methoxybenzoate is COc1ccc(C(=O)OCC2OCC(=O)O2)cc1.COc1ccc(C(=O)OC[C@@H]2OCC(=O)O2)cc1.
What is the InChIKey of [(2R)-4-oxo-1,3-dioxolan-2-yl]methyl 4-methoxybenzoate;(4-oxo-1,3-dioxolan-2-yl)methyl 4-methoxybenzoate?
The InChIKey is NMFSCRLAMDUYRN-RFVHGSKJSA-N. The full InChI is InChI=1S/2C12H12O6/c2*1-15-9-4-2-8(3-5-9)12(14)17-7-11-16-6-10(13)18-11/h2*2-5,11H,6-7H2,1H3/t11-;/m1./s1.
What are the key properties of [(2R)-4-oxo-1,3-dioxolan-2-yl]methyl 4-methoxybenzoate;(4-oxo-1,3-dioxolan-2-yl)methyl 4-methoxybenzoate?
[(2R)-4-oxo-1,3-dioxolan-2-yl]methyl 4-methoxybenzoate;(4-oxo-1,3-dioxolan-2-yl)methyl 4-methoxybenzoate has a molecular weight of 504.44 g/mol, XLogP of 1.50, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-oxo-1,3-dioxolan-2-yl]methyl 4-methoxybenzoate;(4-oxo-1,3-dioxolan-2-yl)methyl 4-methoxybenzoate is sourced from PubChem (CID 159820989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).