(2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)benzo[g]chromene-5,10-dione

C20H20O4 — CID 162973482

IUPAC(2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)benzo[g]chromene-5,10-dione
SMILESCC(C)=CCC[C@]1(C)C=CC2=C(O1)C(=O)c1cc(O)ccc1C2=O
InChIInChI=1S/C20H20O4/c1-12(2)5-4-9-20(3)10-8-15-17(22)14-7-6-13(21)11-16(14)18(23)19(15)24-20/h5-8,10-11,21H,4,9H2,1-3H3/t20-/m1/s1
InChIKeyIDVZSGFQQMFFSF-HXUWFJFHSA-N
MW324.38 g/mol
LogP4.12
Rot. Bonds3

About (2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)benzo[g]chromene-5,10-dione

(2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)benzo[g]chromene-5,10-dione (PubChem CID 162973482) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)benzo[g]chromene-5,10-dione.

Molecular Properties

Compound Name(2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)benzo[g]chromene-5,10-dione
PubChem CID162973482
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name(2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)benzo[g]chromene-5,10-dione
SMILESCC(C)=CCC[C@]1(C)C=CC2=C(O1)C(=O)c1cc(O)ccc1C2=O
InChIInChI=1S/C20H20O4/c1-12(2)5-4-9-20(3)10-8-15-17(22)14-7-6-13(21)11-16(14)18(23)19(15)24-20/h5-8,10-11,21H,4,9H2,1-3H3/t20-/m1/s1
InChIKeyIDVZSGFQQMFFSF-HXUWFJFHSA-N
XLogP4.12
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)benzo[g]chromene-5,10-dione?
The IUPAC name of (2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)benzo[g]chromene-5,10-dione (CID 162973482) is (2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)benzo[g]chromene-5,10-dione.
What is the SMILES notation for (2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)benzo[g]chromene-5,10-dione?
The canonical SMILES for (2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)benzo[g]chromene-5,10-dione is CC(C)=CCC[C@]1(C)C=CC2=C(O1)C(=O)c1cc(O)ccc1C2=O.
What is the InChIKey of (2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)benzo[g]chromene-5,10-dione?
The InChIKey is IDVZSGFQQMFFSF-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20O4/c1-12(2)5-4-9-20(3)10-8-15-17(22)14-7-6-13(21)11-16(14)18(23)19(15)24-20/h5-8,10-11,21H,4,9H2,1-3H3/t20-/m1/s1.
What are the key properties of (2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)benzo[g]chromene-5,10-dione?
(2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)benzo[g]chromene-5,10-dione has a molecular weight of 324.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)benzo[g]chromene-5,10-dione is sourced from PubChem (CID 162973482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).