2-(9H-xanthen-1-yloxy)benzoic acid

C20H14O4 — CID 175118326

IUPAC2-(9H-xanthen-1-yloxy)benzoic acid
SMILESO=C(O)c1ccccc1Oc1cccc2c1Cc1ccccc1O2
InChIInChI=1S/C20H14O4/c21-20(22)14-7-2-4-9-17(14)24-19-11-5-10-18-15(19)12-13-6-1-3-8-16(13)23-18/h1-11H,12H2,(H,21,22)
InChIKeyUNOILJAUSXGANW-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.87
Rot. Bonds3

About 2-(9H-xanthen-1-yloxy)benzoic acid

2-(9H-xanthen-1-yloxy)benzoic acid (PubChem CID 175118326) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-(9H-xanthen-1-yloxy)benzoic acid.

Molecular Properties

Compound Name2-(9H-xanthen-1-yloxy)benzoic acid
PubChem CID175118326
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name2-(9H-xanthen-1-yloxy)benzoic acid
SMILESO=C(O)c1ccccc1Oc1cccc2c1Cc1ccccc1O2
InChIInChI=1S/C20H14O4/c21-20(22)14-7-2-4-9-17(14)24-19-11-5-10-18-15(19)12-13-6-1-3-8-16(13)23-18/h1-11H,12H2,(H,21,22)
InChIKeyUNOILJAUSXGANW-UHFFFAOYSA-N
XLogP4.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-xanthen-1-yloxy)benzoic acid?
The IUPAC name of 2-(9H-xanthen-1-yloxy)benzoic acid (CID 175118326) is 2-(9H-xanthen-1-yloxy)benzoic acid.
What is the SMILES notation for 2-(9H-xanthen-1-yloxy)benzoic acid?
The canonical SMILES for 2-(9H-xanthen-1-yloxy)benzoic acid is O=C(O)c1ccccc1Oc1cccc2c1Cc1ccccc1O2.
What is the InChIKey of 2-(9H-xanthen-1-yloxy)benzoic acid?
The InChIKey is UNOILJAUSXGANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c21-20(22)14-7-2-4-9-17(14)24-19-11-5-10-18-15(19)12-13-6-1-3-8-16(13)23-18/h1-11H,12H2,(H,21,22).
What are the key properties of 2-(9H-xanthen-1-yloxy)benzoic acid?
2-(9H-xanthen-1-yloxy)benzoic acid has a molecular weight of 318.33 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-xanthen-1-yloxy)benzoic acid is sourced from PubChem (CID 175118326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).