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

C19H18O4 — CID 23151723

IUPAC9-hydroxy-9-(oxan-4-yl)fluorene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(O)(C1CCOCC1)c1ccccc1-2
InChIInChI=1S/C19H18O4/c20-18(21)12-5-6-15-14-3-1-2-4-16(14)19(22,17(15)11-12)13-7-9-23-10-8-13/h1-6,11,13,22H,7-10H2,(H,20,21)
InChIKeyZZRLIXPEOLXUIV-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.03
Rot. Bonds2

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

9-hydroxy-9-(oxan-4-yl)fluorene-2-carboxylic acid (PubChem CID 23151723) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 9-hydroxy-9-(oxan-4-yl)fluorene-2-carboxylic acid.

Molecular Properties

Compound Name9-hydroxy-9-(oxan-4-yl)fluorene-2-carboxylic acid
PubChem CID23151723
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name9-hydroxy-9-(oxan-4-yl)fluorene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(O)(C1CCOCC1)c1ccccc1-2
InChIInChI=1S/C19H18O4/c20-18(21)12-5-6-15-14-3-1-2-4-16(14)19(22,17(15)11-12)13-7-9-23-10-8-13/h1-6,11,13,22H,7-10H2,(H,20,21)
InChIKeyZZRLIXPEOLXUIV-UHFFFAOYSA-N
XLogP3.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-9-(oxan-4-yl)fluorene-2-carboxylic acid?
The IUPAC name of 9-hydroxy-9-(oxan-4-yl)fluorene-2-carboxylic acid (CID 23151723) is 9-hydroxy-9-(oxan-4-yl)fluorene-2-carboxylic acid.
What is the SMILES notation for 9-hydroxy-9-(oxan-4-yl)fluorene-2-carboxylic acid?
The canonical SMILES for 9-hydroxy-9-(oxan-4-yl)fluorene-2-carboxylic acid is O=C(O)c1ccc2c(c1)C(O)(C1CCOCC1)c1ccccc1-2.
What is the InChIKey of 9-hydroxy-9-(oxan-4-yl)fluorene-2-carboxylic acid?
The InChIKey is ZZRLIXPEOLXUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c20-18(21)12-5-6-15-14-3-1-2-4-16(14)19(22,17(15)11-12)13-7-9-23-10-8-13/h1-6,11,13,22H,7-10H2,(H,20,21).
What are the key properties of 9-hydroxy-9-(oxan-4-yl)fluorene-2-carboxylic acid?
9-hydroxy-9-(oxan-4-yl)fluorene-2-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-9-(oxan-4-yl)fluorene-2-carboxylic acid is sourced from PubChem (CID 23151723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).