1,3-dioxolan-2-one;methyl 2-hydroxybenzoate

C11H12O6 — CID 158443718

IUPAC1,3-dioxolan-2-one;methyl 2-hydroxybenzoate
SMILESCOC(=O)c1ccccc1O.O=C1OCCO1
InChIInChI=1S/C8H8O3.C3H4O3/c1-11-8(10)6-4-2-3-5-7(6)9;4-3-5-1-2-6-3/h2-5,9H,1H3;1-2H2
InChIKeyHDDAXLDXTJJAAL-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.33
Rot. Bonds1

About 1,3-dioxolan-2-one;methyl 2-hydroxybenzoate

1,3-dioxolan-2-one;methyl 2-hydroxybenzoate (PubChem CID 158443718) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is 1,3-dioxolan-2-one;methyl 2-hydroxybenzoate.

Molecular Properties

Compound Name1,3-dioxolan-2-one;methyl 2-hydroxybenzoate
PubChem CID158443718
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Name1,3-dioxolan-2-one;methyl 2-hydroxybenzoate
SMILESCOC(=O)c1ccccc1O.O=C1OCCO1
InChIInChI=1S/C8H8O3.C3H4O3/c1-11-8(10)6-4-2-3-5-7(6)9;4-3-5-1-2-6-3/h2-5,9H,1H3;1-2H2
InChIKeyHDDAXLDXTJJAAL-UHFFFAOYSA-N
XLogP1.33
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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di(113C)methyl benzene-1,2-dicarboxylate
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methyl 2-hydroxybenzoate;pyrimidine
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dimethyl benzene-1,2-dicarboxylate;methane
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methyl 2-hydroxybenzoate;phenylhydrazine
CID 159763478
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CID 159882393
(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;methyl 2-hydroxybenzoate
CID 174972702
methyl 2-[(Z)-(2-oxooxolan-3-ylidene)methyl]benzoate
CID 11481668
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CID 176546663

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-2-one;methyl 2-hydroxybenzoate?
The IUPAC name of 1,3-dioxolan-2-one;methyl 2-hydroxybenzoate (CID 158443718) is 1,3-dioxolan-2-one;methyl 2-hydroxybenzoate.
What is the SMILES notation for 1,3-dioxolan-2-one;methyl 2-hydroxybenzoate?
The canonical SMILES for 1,3-dioxolan-2-one;methyl 2-hydroxybenzoate is COC(=O)c1ccccc1O.O=C1OCCO1.
What is the InChIKey of 1,3-dioxolan-2-one;methyl 2-hydroxybenzoate?
The InChIKey is HDDAXLDXTJJAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C3H4O3/c1-11-8(10)6-4-2-3-5-7(6)9;4-3-5-1-2-6-3/h2-5,9H,1H3;1-2H2.
What are the key properties of 1,3-dioxolan-2-one;methyl 2-hydroxybenzoate?
1,3-dioxolan-2-one;methyl 2-hydroxybenzoate has a molecular weight of 240.21 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-one;methyl 2-hydroxybenzoate is sourced from PubChem (CID 158443718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).