3-(2-fluorophenyl)-3,4-dihydro-2H-chromene-7-carboxylic acid

C16H13FO3 — CID 175973128

IUPAC3-(2-fluorophenyl)-3,4-dihydro-2H-chromene-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)OCC(c1ccccc1F)C2
InChIInChI=1S/C16H13FO3/c17-14-4-2-1-3-13(14)12-7-10-5-6-11(16(18)19)8-15(10)20-9-12/h1-6,8,12H,7,9H2,(H,18,19)
InChIKeyZEFNTSCVXTZLQA-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.24
Rot. Bonds2

About 3-(2-fluorophenyl)-3,4-dihydro-2H-chromene-7-carboxylic acid

3-(2-fluorophenyl)-3,4-dihydro-2H-chromene-7-carboxylic acid (PubChem CID 175973128) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3,4-dihydro-2H-chromene-7-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3,4-dihydro-2H-chromene-7-carboxylic acid
PubChem CID175973128
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name3-(2-fluorophenyl)-3,4-dihydro-2H-chromene-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)OCC(c1ccccc1F)C2
InChIInChI=1S/C16H13FO3/c17-14-4-2-1-3-13(14)12-7-10-5-6-11(16(18)19)8-15(10)20-9-12/h1-6,8,12H,7,9H2,(H,18,19)
InChIKeyZEFNTSCVXTZLQA-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3,4-dihydro-2H-chromene-7-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)-3,4-dihydro-2H-chromene-7-carboxylic acid (CID 175973128) is 3-(2-fluorophenyl)-3,4-dihydro-2H-chromene-7-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-3,4-dihydro-2H-chromene-7-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)-3,4-dihydro-2H-chromene-7-carboxylic acid is O=C(O)c1ccc2c(c1)OCC(c1ccccc1F)C2.
What is the InChIKey of 3-(2-fluorophenyl)-3,4-dihydro-2H-chromene-7-carboxylic acid?
The InChIKey is ZEFNTSCVXTZLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c17-14-4-2-1-3-13(14)12-7-10-5-6-11(16(18)19)8-15(10)20-9-12/h1-6,8,12H,7,9H2,(H,18,19).
What are the key properties of 3-(2-fluorophenyl)-3,4-dihydro-2H-chromene-7-carboxylic acid?
3-(2-fluorophenyl)-3,4-dihydro-2H-chromene-7-carboxylic acid has a molecular weight of 272.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3,4-dihydro-2H-chromene-7-carboxylic acid is sourced from PubChem (CID 175973128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).