4-phenyloxolane-2-carboxylic acid

C11H12O3 — CID 130620064

IUPAC4-phenyloxolane-2-carboxylic acid
SMILESO=C(O)C1CC(c2ccccc2)CO1
InChIInChI=1S/C11H12O3/c12-11(13)10-6-9(7-14-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)
InChIKeyBUKRJJVVTVELDY-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.64
Rot. Bonds2

About 4-phenyloxolane-2-carboxylic acid

4-phenyloxolane-2-carboxylic acid (PubChem CID 130620064) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-phenyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name4-phenyloxolane-2-carboxylic acid
PubChem CID130620064
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-phenyloxolane-2-carboxylic acid
SMILESO=C(O)C1CC(c2ccccc2)CO1
InChIInChI=1S/C11H12O3/c12-11(13)10-6-9(7-14-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)
InChIKeyBUKRJJVVTVELDY-UHFFFAOYSA-N
XLogP1.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyloxolane-2-carboxylic acid?
The IUPAC name of 4-phenyloxolane-2-carboxylic acid (CID 130620064) is 4-phenyloxolane-2-carboxylic acid.
What is the SMILES notation for 4-phenyloxolane-2-carboxylic acid?
The canonical SMILES for 4-phenyloxolane-2-carboxylic acid is O=C(O)C1CC(c2ccccc2)CO1.
What is the InChIKey of 4-phenyloxolane-2-carboxylic acid?
The InChIKey is BUKRJJVVTVELDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-11(13)10-6-9(7-14-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13).
What are the key properties of 4-phenyloxolane-2-carboxylic acid?
4-phenyloxolane-2-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyloxolane-2-carboxylic acid is sourced from PubChem (CID 130620064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).