2-(9H-xanthen-9-yl)acetic acid

C15H12O3 — CID 834662

IUPAC2-(9H-xanthen-9-yl)acetic acid
SMILESO=C(O)CC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C15H12O3/c16-15(17)9-12-10-5-1-3-7-13(10)18-14-8-4-2-6-11(12)14/h1-8,12H,9H2,(H,16,17)
InChIKeyWBWAHPQXFIMEOA-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.40
Rot. Bonds2

About 2-(9H-xanthen-9-yl)acetic acid

2-(9H-xanthen-9-yl)acetic acid (PubChem CID 834662) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(9H-xanthen-9-yl)acetic acid.

Molecular Properties

Compound Name2-(9H-xanthen-9-yl)acetic acid
PubChem CID834662
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2-(9H-xanthen-9-yl)acetic acid
SMILESO=C(O)CC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C15H12O3/c16-15(17)9-12-10-5-1-3-7-13(10)18-14-8-4-2-6-11(12)14/h1-8,12H,9H2,(H,16,17)
InChIKeyWBWAHPQXFIMEOA-UHFFFAOYSA-N
XLogP3.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-xanthen-9-yl)acetic acid?
The IUPAC name of 2-(9H-xanthen-9-yl)acetic acid (CID 834662) is 2-(9H-xanthen-9-yl)acetic acid.
What is the SMILES notation for 2-(9H-xanthen-9-yl)acetic acid?
The canonical SMILES for 2-(9H-xanthen-9-yl)acetic acid is O=C(O)CC1c2ccccc2Oc2ccccc21.
What is the InChIKey of 2-(9H-xanthen-9-yl)acetic acid?
The InChIKey is WBWAHPQXFIMEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-15(17)9-12-10-5-1-3-7-13(10)18-14-8-4-2-6-11(12)14/h1-8,12H,9H2,(H,16,17).
What are the key properties of 2-(9H-xanthen-9-yl)acetic acid?
2-(9H-xanthen-9-yl)acetic acid has a molecular weight of 240.26 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-xanthen-9-yl)acetic acid is sourced from PubChem (CID 834662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).