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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Related Compounds

2-benzyloxane-2-carboxylic acid
CID 12030266
(2-benzyloxolan-2-yl)methanol
CID 126987678
(2-benzyloxolan-2-yl)methanamine
CID 84772073
2-[(2-bromothiophen-3-yl)methyl]oxolane-2-carboxylic acid
CID 130648429
1-oxaspiro[4.5]decane;2-phenylacetamide
CID 21117982
2-[[3-[3-[4-(carboxymethyl)-3-methoxyphenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid
CID 142214637
2-(1,3-thiazol-4-ylmethyl)oxane-2-carboxylic acid
CID 127019769
[(2R)-2-benzyloxiran-2-yl]methanol
CID 15072879
1-benzylcyclopropane-1-carboxylic acid
CID 562561
2-[[3-[(2R)-3-[4-(2-carboxypropan-2-yl)phenoxy]-2-hydroxypropoxy]phenyl]methyl]oxolane-2-carboxylic acid
CID 69285910
2-[[3-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropoxy]phenyl]methyl]oxolane-2-carboxylic acid
CID 59712447
2-[(4-hydroxyphenyl)methyl]oxirane-2-carboxylic acid
CID 86123845

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).