9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid

C19H18O3 — CID 23151754

IUPAC9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(C1CCOCC1)c1ccccc1-2
InChIInChI=1S/C19H18O3/c20-19(21)13-5-6-15-14-3-1-2-4-16(14)18(17(15)11-13)12-7-9-22-10-8-12/h1-6,11-12,18H,7-10H2,(H,20,21)
InChIKeyYWHFSBWYPNCEJR-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.92
Rot. Bonds2

About 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid

9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid (PubChem CID 23151754) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid.

Molecular Properties

Compound Name9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid
PubChem CID23151754
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(C1CCOCC1)c1ccccc1-2
InChIInChI=1S/C19H18O3/c20-19(21)13-5-6-15-14-3-1-2-4-16(14)18(17(15)11-13)12-7-9-22-10-8-12/h1-6,11-12,18H,7-10H2,(H,20,21)
InChIKeyYWHFSBWYPNCEJR-UHFFFAOYSA-N
XLogP3.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid?
The IUPAC name of 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid (CID 23151754) is 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid.
What is the SMILES notation for 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid?
The canonical SMILES for 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid is O=C(O)c1ccc2c(c1)C(C1CCOCC1)c1ccccc1-2.
What is the InChIKey of 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid?
The InChIKey is YWHFSBWYPNCEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c20-19(21)13-5-6-15-14-3-1-2-4-16(14)18(17(15)11-13)12-7-9-22-10-8-12/h1-6,11-12,18H,7-10H2,(H,20,21).
What are the key properties of 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid?
9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid is sourced from PubChem (CID 23151754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).