2-benzyloxolane-2-carboxylic acid

C12H14O3 — CID 18467992

IUPAC2-benzyloxolane-2-carboxylic acid
SMILESO=C(O)C1(Cc2ccccc2)CCCO1
InChIInChI=1S/C12H14O3/c13-11(14)12(7-4-8-15-12)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14)
InChIKeyVJLPVNPJLPNWFJ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.86
Rot. Bonds3

About 2-benzyloxolane-2-carboxylic acid

2-benzyloxolane-2-carboxylic acid (PubChem CID 18467992) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-benzyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-benzyloxolane-2-carboxylic acid
PubChem CID18467992
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-benzyloxolane-2-carboxylic acid
SMILESO=C(O)C1(Cc2ccccc2)CCCO1
InChIInChI=1S/C12H14O3/c13-11(14)12(7-4-8-15-12)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14)
InChIKeyVJLPVNPJLPNWFJ-UHFFFAOYSA-N
XLogP1.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyloxolane-2-carboxylic acid?
The IUPAC name of 2-benzyloxolane-2-carboxylic acid (CID 18467992) is 2-benzyloxolane-2-carboxylic acid.
What is the SMILES notation for 2-benzyloxolane-2-carboxylic acid?
The canonical SMILES for 2-benzyloxolane-2-carboxylic acid is O=C(O)C1(Cc2ccccc2)CCCO1.
What is the InChIKey of 2-benzyloxolane-2-carboxylic acid?
The InChIKey is VJLPVNPJLPNWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-11(14)12(7-4-8-15-12)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14).
What are the key properties of 2-benzyloxolane-2-carboxylic acid?
2-benzyloxolane-2-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyloxolane-2-carboxylic acid is sourced from PubChem (CID 18467992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).