(2R)-2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylic acid

C15H20O4 — CID 164606521

IUPAC(2R)-2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylic acid
SMILESCCOc1ccc(CC)cc1[C@@]1(C(=O)O)CCCO1
InChIInChI=1S/C15H20O4/c1-3-11-6-7-13(18-4-2)12(10-11)15(14(16)17)8-5-9-19-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)/t15-/m1/s1
InChIKeyPWECCTXBVIFHPV-OAHLLOKOSA-N
MW264.32 g/mol
LogP2.74
Rot. Bonds5

About (2R)-2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylic acid

(2R)-2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylic acid (PubChem CID 164606521) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R)-2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylic acid
PubChem CID164606521
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(2R)-2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylic acid
SMILESCCOc1ccc(CC)cc1[C@@]1(C(=O)O)CCCO1
InChIInChI=1S/C15H20O4/c1-3-11-6-7-13(18-4-2)12(10-11)15(14(16)17)8-5-9-19-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)/t15-/m1/s1
InChIKeyPWECCTXBVIFHPV-OAHLLOKOSA-N
XLogP2.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R)-2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylic acid (CID 164606521) is (2R)-2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R)-2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R)-2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylic acid is CCOc1ccc(CC)cc1[C@@]1(C(=O)O)CCCO1.
What is the InChIKey of (2R)-2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylic acid?
The InChIKey is PWECCTXBVIFHPV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-11-6-7-13(18-4-2)12(10-11)15(14(16)17)8-5-9-19-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)/t15-/m1/s1.
What are the key properties of (2R)-2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylic acid?
(2R)-2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 164606521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).