2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid

C14H16O3 — CID 79978253

IUPAC2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1CCOC1c1ccc(C2CC2)cc1
InChIInChI=1S/C14H16O3/c15-14(16)12-7-8-17-13(12)11-5-3-10(4-6-11)9-1-2-9/h3-6,9,12-13H,1-2,7-8H2,(H,15,16)
InChIKeyWQDQZAZUCSWWDV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.73
Rot. Bonds3

About 2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid

2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid (PubChem CID 79978253) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid
PubChem CID79978253
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1CCOC1c1ccc(C2CC2)cc1
InChIInChI=1S/C14H16O3/c15-14(16)12-7-8-17-13(12)11-5-3-10(4-6-11)9-1-2-9/h3-6,9,12-13H,1-2,7-8H2,(H,15,16)
InChIKeyWQDQZAZUCSWWDV-UHFFFAOYSA-N
XLogP2.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-(4-bromophenyl)oxane-3-carboxylic acid
CID 67311252
2-(3,5-difluorophenyl)oxolane-3-carboxylic acid
CID 106534410
2-(3-bromo-4-methylphenyl)oxolane-3-carboxylic acid
CID 105411654
phenyl-(2-phenyloxolan-3-yl)methanone
CID 73097073
2-(4-cyclopropylphenyl)oxolan-3-amine
CID 79978303
[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-phenylmethanone
CID 10266040
2-(3-nitrophenyl)oxolane-3-carboxylic acid
CID 79368403
2-phenyloxolane-3-carbohydrazide
CID 122235516
2-(5-nitrofuran-2-yl)oxolane-3-carboxylic acid
CID 79367934
2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 122235493
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124680941

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid?
The IUPAC name of 2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid (CID 79978253) is 2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid?
The canonical SMILES for 2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid is O=C(O)C1CCOC1c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid?
The InChIKey is WQDQZAZUCSWWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-14(16)12-7-8-17-13(12)11-5-3-10(4-6-11)9-1-2-9/h3-6,9,12-13H,1-2,7-8H2,(H,15,16).
What are the key properties of 2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid?
2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 79978253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).