1,2,3,4,6,7-hexahydroxanthen-9-one

C13H14O2 — CID 66938172

IUPAC1,2,3,4,6,7-hexahydroxanthen-9-one
SMILESO=c1c2c(oc3c1=CCCC=3)CCCC2
InChIInChI=1S/C13H14O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h5,7H,1-4,6,8H2
InChIKeyNELVRKMDCNUZQD-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.87
Rot. Bonds

About 1,2,3,4,6,7-hexahydroxanthen-9-one

1,2,3,4,6,7-hexahydroxanthen-9-one (PubChem CID 66938172) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1,2,3,4,6,7-hexahydroxanthen-9-one.

Molecular Properties

Compound Name1,2,3,4,6,7-hexahydroxanthen-9-one
PubChem CID66938172
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1,2,3,4,6,7-hexahydroxanthen-9-one
SMILESO=c1c2c(oc3c1=CCCC=3)CCCC2
InChIInChI=1S/C13H14O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h5,7H,1-4,6,8H2
InChIKeyNELVRKMDCNUZQD-UHFFFAOYSA-N
XLogP0.87
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7-hexahydroxanthen-9-one?
The IUPAC name of 1,2,3,4,6,7-hexahydroxanthen-9-one (CID 66938172) is 1,2,3,4,6,7-hexahydroxanthen-9-one.
What is the SMILES notation for 1,2,3,4,6,7-hexahydroxanthen-9-one?
The canonical SMILES for 1,2,3,4,6,7-hexahydroxanthen-9-one is O=c1c2c(oc3c1=CCCC=3)CCCC2.
What is the InChIKey of 1,2,3,4,6,7-hexahydroxanthen-9-one?
The InChIKey is NELVRKMDCNUZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h5,7H,1-4,6,8H2.
What are the key properties of 1,2,3,4,6,7-hexahydroxanthen-9-one?
1,2,3,4,6,7-hexahydroxanthen-9-one has a molecular weight of 202.25 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7-hexahydroxanthen-9-one is sourced from PubChem (CID 66938172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).