2,3b,5-trimethyl-2,4-dihydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione

C19H18O3 — CID 143684631

IUPAC2,3b,5-trimethyl-2,4-dihydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione
SMILESCC1=c2ccccc2=C2C(=O)C(=O)C3=C(OC(C)C3)C2(C)C1
InChIInChI=1S/C19H18O3/c1-10-9-19(3)15(13-7-5-4-6-12(10)13)17(21)16(20)14-8-11(2)22-18(14)19/h4-7,11H,8-9H2,1-3H3
InChIKeyKHHGUQAFGJGJTP-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.63
Rot. Bonds

About 2,3b,5-trimethyl-2,4-dihydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione

2,3b,5-trimethyl-2,4-dihydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione (PubChem CID 143684631) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2,3b,5-trimethyl-2,4-dihydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione.

Molecular Properties

Compound Name2,3b,5-trimethyl-2,4-dihydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione
PubChem CID143684631
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name2,3b,5-trimethyl-2,4-dihydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione
SMILESCC1=c2ccccc2=C2C(=O)C(=O)C3=C(OC(C)C3)C2(C)C1
InChIInChI=1S/C19H18O3/c1-10-9-19(3)15(13-7-5-4-6-12(10)13)17(21)16(20)14-8-11(2)22-18(14)19/h4-7,11H,8-9H2,1-3H3
InChIKeyKHHGUQAFGJGJTP-UHFFFAOYSA-N
XLogP1.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3b,5-trimethyl-2,4-dihydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione?
The IUPAC name of 2,3b,5-trimethyl-2,4-dihydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione (CID 143684631) is 2,3b,5-trimethyl-2,4-dihydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione.
What is the SMILES notation for 2,3b,5-trimethyl-2,4-dihydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione?
The canonical SMILES for 2,3b,5-trimethyl-2,4-dihydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione is CC1=c2ccccc2=C2C(=O)C(=O)C3=C(OC(C)C3)C2(C)C1.
What is the InChIKey of 2,3b,5-trimethyl-2,4-dihydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione?
The InChIKey is KHHGUQAFGJGJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-10-9-19(3)15(13-7-5-4-6-12(10)13)17(21)16(20)14-8-11(2)22-18(14)19/h4-7,11H,8-9H2,1-3H3.
What are the key properties of 2,3b,5-trimethyl-2,4-dihydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione?
2,3b,5-trimethyl-2,4-dihydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione has a molecular weight of 294.35 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3b,5-trimethyl-2,4-dihydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione is sourced from PubChem (CID 143684631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).