9H-xanthen-2-ol

C13H10O2 — CID 10219823

IUPAC9H-xanthen-2-ol
SMILESOc1ccc2c(c1)Cc1ccccc1O2
InChIInChI=1S/C13H10O2/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)15-13/h1-6,8,14H,7H2
InChIKeyKLKBNAQYHUQECI-UHFFFAOYSA-N
MW198.22 g/mol
LogP3.09
Rot. Bonds

About 9H-xanthen-2-ol

9H-xanthen-2-ol (PubChem CID 10219823) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 9H-xanthen-2-ol.

Molecular Properties

Compound Name9H-xanthen-2-ol
PubChem CID10219823
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name9H-xanthen-2-ol
SMILESOc1ccc2c(c1)Cc1ccccc1O2
InChIInChI=1S/C13H10O2/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)15-13/h1-6,8,14H,7H2
InChIKeyKLKBNAQYHUQECI-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-2-ol?
The IUPAC name of 9H-xanthen-2-ol (CID 10219823) is 9H-xanthen-2-ol.
What is the SMILES notation for 9H-xanthen-2-ol?
The canonical SMILES for 9H-xanthen-2-ol is Oc1ccc2c(c1)Cc1ccccc1O2.
What is the InChIKey of 9H-xanthen-2-ol?
The InChIKey is KLKBNAQYHUQECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)15-13/h1-6,8,14H,7H2.
What are the key properties of 9H-xanthen-2-ol?
9H-xanthen-2-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-2-ol is sourced from PubChem (CID 10219823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).