1-[6-hydroxy-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-7-propyl-1-benzofuran-5-yl]ethanone

C26H30O5 — CID 15171884

IUPAC1-[6-hydroxy-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-7-propyl-1-benzofuran-5-yl]ethanone
SMILESCCCc1c(O)c(C(C)=O)cc2cc(C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)oc12
InChIInChI=1S/C26H30O5/c1-7-8-19-23(29)20(16(5)27)11-17-12-21(30-25(17)19)26(6)10-9-18-15(4)22(28)13(2)14(3)24(18)31-26/h11-12,28-29H,7-10H2,1-6H3
InChIKeyXODXZQONDGJCKH-UHFFFAOYSA-N
MW422.52 g/mol
LogP6.16
Rot. Bonds4

About 1-[6-hydroxy-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-7-propyl-1-benzofuran-5-yl]ethanone

1-[6-hydroxy-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-7-propyl-1-benzofuran-5-yl]ethanone (PubChem CID 15171884) has the molecular formula C26H30O5 and a molecular weight of 422.52 g/mol. Its IUPAC name is 1-[6-hydroxy-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-7-propyl-1-benzofuran-5-yl]ethanone.

Molecular Properties

Compound Name1-[6-hydroxy-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-7-propyl-1-benzofuran-5-yl]ethanone
PubChem CID15171884
Molecular FormulaC26H30O5
Molecular Weight422.52 g/mol
Exact Mass422.21
IUPAC Name1-[6-hydroxy-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-7-propyl-1-benzofuran-5-yl]ethanone
SMILESCCCc1c(O)c(C(C)=O)cc2cc(C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)oc12
InChIInChI=1S/C26H30O5/c1-7-8-19-23(29)20(16(5)27)11-17-12-21(30-25(17)19)26(6)10-9-18-15(4)22(28)13(2)14(3)24(18)31-26/h11-12,28-29H,7-10H2,1-6H3
InChIKeyXODXZQONDGJCKH-UHFFFAOYSA-N
XLogP6.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.52
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[6-hydroxy-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-7-propyl-1-benzofuran-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-hydroxy-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-7-propyl-1-benzofuran-5-yl]ethanone?
The IUPAC name of 1-[6-hydroxy-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-7-propyl-1-benzofuran-5-yl]ethanone (CID 15171884) is 1-[6-hydroxy-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-7-propyl-1-benzofuran-5-yl]ethanone.
What is the SMILES notation for 1-[6-hydroxy-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-7-propyl-1-benzofuran-5-yl]ethanone?
The canonical SMILES for 1-[6-hydroxy-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-7-propyl-1-benzofuran-5-yl]ethanone is CCCc1c(O)c(C(C)=O)cc2cc(C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)oc12.
What is the InChIKey of 1-[6-hydroxy-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-7-propyl-1-benzofuran-5-yl]ethanone?
The InChIKey is XODXZQONDGJCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O5/c1-7-8-19-23(29)20(16(5)27)11-17-12-21(30-25(17)19)26(6)10-9-18-15(4)22(28)13(2)14(3)24(18)31-26/h11-12,28-29H,7-10H2,1-6H3.
What are the key properties of 1-[6-hydroxy-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-7-propyl-1-benzofuran-5-yl]ethanone?
1-[6-hydroxy-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-7-propyl-1-benzofuran-5-yl]ethanone has a molecular weight of 422.52 g/mol, XLogP of 6.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-hydroxy-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-7-propyl-1-benzofuran-5-yl]ethanone is sourced from PubChem (CID 15171884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).