(2-oxo-1,3-dioxolan-4-yl)methyl 4-chlorobenzoate

C11H9ClO5 — CID 132504313

IUPAC(2-oxo-1,3-dioxolan-4-yl)methyl 4-chlorobenzoate
SMILESO=C1OCC(COC(=O)c2ccc(Cl)cc2)O1
InChIInChI=1S/C11H9ClO5/c12-8-3-1-7(2-4-8)10(13)15-5-9-6-16-11(14)17-9/h1-4,9H,5-6H2
InChIKeyXBLUXVDWLJCRLX-UHFFFAOYSA-N
MW256.64 g/mol
LogP2.03
Rot. Bonds3

About (2-oxo-1,3-dioxolan-4-yl)methyl 4-chlorobenzoate

(2-oxo-1,3-dioxolan-4-yl)methyl 4-chlorobenzoate (PubChem CID 132504313) has the molecular formula C11H9ClO5 and a molecular weight of 256.64 g/mol. Its IUPAC name is (2-oxo-1,3-dioxolan-4-yl)methyl 4-chlorobenzoate.

Molecular Properties

Compound Name(2-oxo-1,3-dioxolan-4-yl)methyl 4-chlorobenzoate
PubChem CID132504313
Molecular FormulaC11H9ClO5
Molecular Weight256.64 g/mol
Exact Mass256.01
IUPAC Name(2-oxo-1,3-dioxolan-4-yl)methyl 4-chlorobenzoate
SMILESO=C1OCC(COC(=O)c2ccc(Cl)cc2)O1
InChIInChI=1S/C11H9ClO5/c12-8-3-1-7(2-4-8)10(13)15-5-9-6-16-11(14)17-9/h1-4,9H,5-6H2
InChIKeyXBLUXVDWLJCRLX-UHFFFAOYSA-N
XLogP2.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate
CID 59449201
(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate
CID 87396873
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzoate
CID 2318276
(2-oxo-1,3-dioxolan-4-yl)methyl 3-oxobutanoate
CID 157036865
(2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
CID 14765868
ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate
CID 145367345
(4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599628
oxiran-2-ylmethyl 4-[4-(oxiran-2-ylmethoxycarbonyl)phenoxy]benzoate
CID 56615855
1-O-(cyclopropylmethyl) 4-O-(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate
CID 165037317
[5-(4-chlorophenyl)-6-oxo-2,3-dihydropyran-3-yl]methyl benzoate
CID 52942480
bis[(2-oxo-1,3-dioxolan-4-yl)methyl] 5-(2-formyloxy-3-methoxypropyl)benzene-1,3-dicarboxylate
CID 145418968
4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one
CID 139535336

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl 4-chlorobenzoate?
The IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl 4-chlorobenzoate (CID 132504313) is (2-oxo-1,3-dioxolan-4-yl)methyl 4-chlorobenzoate.
What is the SMILES notation for (2-oxo-1,3-dioxolan-4-yl)methyl 4-chlorobenzoate?
The canonical SMILES for (2-oxo-1,3-dioxolan-4-yl)methyl 4-chlorobenzoate is O=C1OCC(COC(=O)c2ccc(Cl)cc2)O1.
What is the InChIKey of (2-oxo-1,3-dioxolan-4-yl)methyl 4-chlorobenzoate?
The InChIKey is XBLUXVDWLJCRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO5/c12-8-3-1-7(2-4-8)10(13)15-5-9-6-16-11(14)17-9/h1-4,9H,5-6H2.
What are the key properties of (2-oxo-1,3-dioxolan-4-yl)methyl 4-chlorobenzoate?
(2-oxo-1,3-dioxolan-4-yl)methyl 4-chlorobenzoate has a molecular weight of 256.64 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dioxolan-4-yl)methyl 4-chlorobenzoate is sourced from PubChem (CID 132504313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).