6,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one

C12H10O4 — CID 175943536

IUPAC6,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
SMILESO=c1c2c(oc3cc(O)cc(O)c13)CCC2
InChIInChI=1S/C12H10O4/c13-6-4-8(14)11-10(5-6)16-9-3-1-2-7(9)12(11)15/h4-5,13-14H,1-3H2
InChIKeyJTPTYSQHSHDGQY-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.69
Rot. Bonds

About 6,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one

6,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one (PubChem CID 175943536) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 6,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one.

Molecular Properties

Compound Name6,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
PubChem CID175943536
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name6,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
SMILESO=c1c2c(oc3cc(O)cc(O)c13)CCC2
InChIInChI=1S/C12H10O4/c13-6-4-8(14)11-10(5-6)16-9-3-1-2-7(9)12(11)15/h4-5,13-14H,1-3H2
InChIKeyJTPTYSQHSHDGQY-UHFFFAOYSA-N
XLogP1.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one?
The IUPAC name of 6,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one (CID 175943536) is 6,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one.
What is the SMILES notation for 6,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one?
The canonical SMILES for 6,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one is O=c1c2c(oc3cc(O)cc(O)c13)CCC2.
What is the InChIKey of 6,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one?
The InChIKey is JTPTYSQHSHDGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c13-6-4-8(14)11-10(5-6)16-9-3-1-2-7(9)12(11)15/h4-5,13-14H,1-3H2.
What are the key properties of 6,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one?
6,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one has a molecular weight of 218.21 g/mol, XLogP of 1.69, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one is sourced from PubChem (CID 175943536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).