4,5,6,7-tetramethoxy-3,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-1-one

C23H26O6 — CID 135030803

IUPAC4,5,6,7-tetramethoxy-3,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-1-one
SMILESCOc1c(OC)c2c3c(c4c(c(OC)c3c1OC)C(C)(C)C(C)O4)C(=O)C=C2C
InChIInChI=1S/C23H26O6/c1-10-9-12(24)14-15-13(10)20(26-6)22(28-8)21(27-7)16(15)18(25-5)17-19(14)29-11(2)23(17,3)4/h9,11H,1-8H3
InChIKeyVXUCSLIKVWTANH-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.53
Rot. Bonds4

About 4,5,6,7-tetramethoxy-3,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-1-one

4,5,6,7-tetramethoxy-3,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-1-one (PubChem CID 135030803) has the molecular formula C23H26O6 and a molecular weight of 398.46 g/mol. Its IUPAC name is 4,5,6,7-tetramethoxy-3,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-1-one.

Molecular Properties

Compound Name4,5,6,7-tetramethoxy-3,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-1-one
PubChem CID135030803
Molecular FormulaC23H26O6
Molecular Weight398.46 g/mol
Exact Mass398.17
IUPAC Name4,5,6,7-tetramethoxy-3,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-1-one
SMILESCOc1c(OC)c2c3c(c4c(c(OC)c3c1OC)C(C)(C)C(C)O4)C(=O)C=C2C
InChIInChI=1S/C23H26O6/c1-10-9-12(24)14-15-13(10)20(26-6)22(28-8)21(27-7)16(15)18(25-5)17-19(14)29-11(2)23(17,3)4/h9,11H,1-8H3
InChIKeyVXUCSLIKVWTANH-UHFFFAOYSA-N
XLogP4.53
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetramethoxy-3,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-1-one?
The IUPAC name of 4,5,6,7-tetramethoxy-3,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-1-one (CID 135030803) is 4,5,6,7-tetramethoxy-3,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-1-one.
What is the SMILES notation for 4,5,6,7-tetramethoxy-3,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-1-one?
The canonical SMILES for 4,5,6,7-tetramethoxy-3,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-1-one is COc1c(OC)c2c3c(c4c(c(OC)c3c1OC)C(C)(C)C(C)O4)C(=O)C=C2C.
What is the InChIKey of 4,5,6,7-tetramethoxy-3,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-1-one?
The InChIKey is VXUCSLIKVWTANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O6/c1-10-9-12(24)14-15-13(10)20(26-6)22(28-8)21(27-7)16(15)18(25-5)17-19(14)29-11(2)23(17,3)4/h9,11H,1-8H3.
What are the key properties of 4,5,6,7-tetramethoxy-3,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-1-one?
4,5,6,7-tetramethoxy-3,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-1-one has a molecular weight of 398.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetramethoxy-3,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-1-one is sourced from PubChem (CID 135030803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).