9H-xanthen-4-ol

C13H10O2 — CID 12554333

IUPAC9H-xanthen-4-ol
SMILESOc1cccc2c1Oc1ccccc1C2
InChIInChI=1S/C13H10O2/c14-11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h1-7,14H,8H2
InChIKeyDIXHYWKLTDWVLR-UHFFFAOYSA-N
MW198.22 g/mol
LogP3.09
Rot. Bonds

About 9H-xanthen-4-ol

9H-xanthen-4-ol (PubChem CID 12554333) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 9H-xanthen-4-ol.

Molecular Properties

Compound Name9H-xanthen-4-ol
PubChem CID12554333
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name9H-xanthen-4-ol
SMILESOc1cccc2c1Oc1ccccc1C2
InChIInChI=1S/C13H10O2/c14-11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h1-7,14H,8H2
InChIKeyDIXHYWKLTDWVLR-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-xanthen-4-ol?
The IUPAC name of 9H-xanthen-4-ol (CID 12554333) is 9H-xanthen-4-ol.
What is the SMILES notation for 9H-xanthen-4-ol?
The canonical SMILES for 9H-xanthen-4-ol is Oc1cccc2c1Oc1ccccc1C2.
What is the InChIKey of 9H-xanthen-4-ol?
The InChIKey is DIXHYWKLTDWVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h1-7,14H,8H2.
What are the key properties of 9H-xanthen-4-ol?
9H-xanthen-4-ol has a molecular weight of 198.22 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-xanthen-4-ol is sourced from PubChem (CID 12554333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).