5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one

C13H10O3 — CID 130193601

IUPAC5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one
SMILESCc1cc(=O)c2c(O)c3c(cc2o1)CC=C3
InChIInChI=1S/C13H10O3/c1-7-5-10(14)12-11(16-7)6-8-3-2-4-9(8)13(12)15/h2,4-6,15H,3H2,1H3
InChIKeyJDXSTXXDOPKSIZ-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.38
Rot. Bonds

About 5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one

5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one (PubChem CID 130193601) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one
PubChem CID130193601
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one
SMILESCc1cc(=O)c2c(O)c3c(cc2o1)CC=C3
InChIInChI=1S/C13H10O3/c1-7-5-10(14)12-11(16-7)6-8-3-2-4-9(8)13(12)15/h2,4-6,15H,3H2,1H3
InChIKeyJDXSTXXDOPKSIZ-UHFFFAOYSA-N
XLogP2.38
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one?
The IUPAC name of 5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one (CID 130193601) is 5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one.
What is the SMILES notation for 5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one?
The canonical SMILES for 5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one is Cc1cc(=O)c2c(O)c3c(cc2o1)CC=C3.
What is the InChIKey of 5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one?
The InChIKey is JDXSTXXDOPKSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c1-7-5-10(14)12-11(16-7)6-8-3-2-4-9(8)13(12)15/h2,4-6,15H,3H2,1H3.
What are the key properties of 5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one?
5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one has a molecular weight of 214.22 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one is sourced from PubChem (CID 130193601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).