2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid

C19H19FO4 — CID 110248554

IUPAC2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid
SMILESCOc1ccc(F)cc1-c1ccc(CC2(C(=O)O)CCCO2)cc1
InChIInChI=1S/C19H19FO4/c1-23-17-8-7-15(20)11-16(17)14-5-3-13(4-6-14)12-19(18(21)22)9-2-10-24-19/h3-8,11H,2,9-10,12H2,1H3,(H,21,22)
InChIKeyRLEDFAQEIAZHJF-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.68
Rot. Bonds5

About 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid

2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid (PubChem CID 110248554) has the molecular formula C19H19FO4 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid
PubChem CID110248554
Molecular FormulaC19H19FO4
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Name2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid
SMILESCOc1ccc(F)cc1-c1ccc(CC2(C(=O)O)CCCO2)cc1
InChIInChI=1S/C19H19FO4/c1-23-17-8-7-15(20)11-16(17)14-5-3-13(4-6-14)12-19(18(21)22)9-2-10-24-19/h3-8,11H,2,9-10,12H2,1H3,(H,21,22)
InChIKeyRLEDFAQEIAZHJF-UHFFFAOYSA-N
XLogP3.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid (CID 110248554) is 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid is COc1ccc(F)cc1-c1ccc(CC2(C(=O)O)CCCO2)cc1.
What is the InChIKey of 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid?
The InChIKey is RLEDFAQEIAZHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO4/c1-23-17-8-7-15(20)11-16(17)14-5-3-13(4-6-14)12-19(18(21)22)9-2-10-24-19/h3-8,11H,2,9-10,12H2,1H3,(H,21,22).
What are the key properties of 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid?
2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid has a molecular weight of 330.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 110248554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).