5-hydroxy-4-methyl-2,3,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-6,9-dione

C14H14O3 — CID 13220238

IUPAC5-hydroxy-4-methyl-2,3,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-6,9-dione
SMILESCc1c(O)c2c(c3c1CCC3)C(=O)CCC2=O
InChIInChI=1S/C14H14O3/c1-7-8-3-2-4-9(8)12-10(15)5-6-11(16)13(12)14(7)17/h17H,2-6H2,1H3
InChIKeyGWUCUPHLNBGCEY-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.35
Rot. Bonds

About 5-hydroxy-4-methyl-2,3,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-6,9-dione

5-hydroxy-4-methyl-2,3,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-6,9-dione (PubChem CID 13220238) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-hydroxy-4-methyl-2,3,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-6,9-dione.

Molecular Properties

Compound Name5-hydroxy-4-methyl-2,3,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-6,9-dione
PubChem CID13220238
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name5-hydroxy-4-methyl-2,3,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-6,9-dione
SMILESCc1c(O)c2c(c3c1CCC3)C(=O)CCC2=O
InChIInChI=1S/C14H14O3/c1-7-8-3-2-4-9(8)12-10(15)5-6-11(16)13(12)14(7)17/h17H,2-6H2,1H3
InChIKeyGWUCUPHLNBGCEY-UHFFFAOYSA-N
XLogP2.35
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methyl-2,3,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-6,9-dione?
The IUPAC name of 5-hydroxy-4-methyl-2,3,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-6,9-dione (CID 13220238) is 5-hydroxy-4-methyl-2,3,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-6,9-dione.
What is the SMILES notation for 5-hydroxy-4-methyl-2,3,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-6,9-dione?
The canonical SMILES for 5-hydroxy-4-methyl-2,3,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-6,9-dione is Cc1c(O)c2c(c3c1CCC3)C(=O)CCC2=O.
What is the InChIKey of 5-hydroxy-4-methyl-2,3,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-6,9-dione?
The InChIKey is GWUCUPHLNBGCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-7-8-3-2-4-9(8)12-10(15)5-6-11(16)13(12)14(7)17/h17H,2-6H2,1H3.
What are the key properties of 5-hydroxy-4-methyl-2,3,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-6,9-dione?
5-hydroxy-4-methyl-2,3,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-6,9-dione has a molecular weight of 230.26 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methyl-2,3,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-6,9-dione is sourced from PubChem (CID 13220238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).