4-methyl-2-prop-1-en-2-ylnaphtho[3,2-f][1]benzofuran-5,10-dione

C20H14O3 — CID 45103626

IUPAC4-methyl-2-prop-1-en-2-ylnaphtho[3,2-f][1]benzofuran-5,10-dione
SMILESC=C(C)c1cc2c(C)c3c(cc2o1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C20H14O3/c1-10(2)16-8-14-11(3)18-15(9-17(14)23-16)19(21)12-6-4-5-7-13(12)20(18)22/h4-9H,1H2,2-3H3
InChIKeyCVXBBKOULFSLCC-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.55
Rot. Bonds1

About 4-methyl-2-prop-1-en-2-ylnaphtho[3,2-f][1]benzofuran-5,10-dione

4-methyl-2-prop-1-en-2-ylnaphtho[3,2-f][1]benzofuran-5,10-dione (PubChem CID 45103626) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-methyl-2-prop-1-en-2-ylnaphtho[3,2-f][1]benzofuran-5,10-dione.

Molecular Properties

Compound Name4-methyl-2-prop-1-en-2-ylnaphtho[3,2-f][1]benzofuran-5,10-dione
PubChem CID45103626
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name4-methyl-2-prop-1-en-2-ylnaphtho[3,2-f][1]benzofuran-5,10-dione
SMILESC=C(C)c1cc2c(C)c3c(cc2o1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C20H14O3/c1-10(2)16-8-14-11(3)18-15(9-17(14)23-16)19(21)12-6-4-5-7-13(12)20(18)22/h4-9H,1H2,2-3H3
InChIKeyCVXBBKOULFSLCC-UHFFFAOYSA-N
XLogP4.55
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-prop-1-en-2-ylnaphtho[3,2-f][1]benzofuran-5,10-dione?
The IUPAC name of 4-methyl-2-prop-1-en-2-ylnaphtho[3,2-f][1]benzofuran-5,10-dione (CID 45103626) is 4-methyl-2-prop-1-en-2-ylnaphtho[3,2-f][1]benzofuran-5,10-dione.
What is the SMILES notation for 4-methyl-2-prop-1-en-2-ylnaphtho[3,2-f][1]benzofuran-5,10-dione?
The canonical SMILES for 4-methyl-2-prop-1-en-2-ylnaphtho[3,2-f][1]benzofuran-5,10-dione is C=C(C)c1cc2c(C)c3c(cc2o1)C(=O)c1ccccc1C3=O.
What is the InChIKey of 4-methyl-2-prop-1-en-2-ylnaphtho[3,2-f][1]benzofuran-5,10-dione?
The InChIKey is CVXBBKOULFSLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c1-10(2)16-8-14-11(3)18-15(9-17(14)23-16)19(21)12-6-4-5-7-13(12)20(18)22/h4-9H,1H2,2-3H3.
What are the key properties of 4-methyl-2-prop-1-en-2-ylnaphtho[3,2-f][1]benzofuran-5,10-dione?
4-methyl-2-prop-1-en-2-ylnaphtho[3,2-f][1]benzofuran-5,10-dione has a molecular weight of 302.33 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-prop-1-en-2-ylnaphtho[3,2-f][1]benzofuran-5,10-dione is sourced from PubChem (CID 45103626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).