2-[2-(5-hydroxy-1-benzofuran-6-yl)propyl]-5-propan-2-yl-1-benzofuran-6-ol

C22H22O4 — CID 166973869

IUPAC2-[2-(5-hydroxy-1-benzofuran-6-yl)propyl]-5-propan-2-yl-1-benzofuran-6-ol
SMILESCC(C)c1cc2cc(CC(C)c3cc4occc4cc3O)oc2cc1O
InChIInChI=1S/C22H22O4/c1-12(2)17-8-15-7-16(26-22(15)11-20(17)24)6-13(3)18-10-21-14(4-5-25-21)9-19(18)23/h4-5,7-13,23-24H,6H2,1-3H3
InChIKeyCFNJSQSKNWMRKD-UHFFFAOYSA-N
MW350.41 g/mol
LogP6.06
Rot. Bonds4

About 2-[2-(5-hydroxy-1-benzofuran-6-yl)propyl]-5-propan-2-yl-1-benzofuran-6-ol

2-[2-(5-hydroxy-1-benzofuran-6-yl)propyl]-5-propan-2-yl-1-benzofuran-6-ol (PubChem CID 166973869) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-[2-(5-hydroxy-1-benzofuran-6-yl)propyl]-5-propan-2-yl-1-benzofuran-6-ol.

Molecular Properties

Compound Name2-[2-(5-hydroxy-1-benzofuran-6-yl)propyl]-5-propan-2-yl-1-benzofuran-6-ol
PubChem CID166973869
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name2-[2-(5-hydroxy-1-benzofuran-6-yl)propyl]-5-propan-2-yl-1-benzofuran-6-ol
SMILESCC(C)c1cc2cc(CC(C)c3cc4occc4cc3O)oc2cc1O
InChIInChI=1S/C22H22O4/c1-12(2)17-8-15-7-16(26-22(15)11-20(17)24)6-13(3)18-10-21-14(4-5-25-21)9-19(18)23/h4-5,7-13,23-24H,6H2,1-3H3
InChIKeyCFNJSQSKNWMRKD-UHFFFAOYSA-N
XLogP6.06
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.41
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Bergamottin
CID 5471349
Bergaptol
CID 5280371
Visnagin
CID 6716
Psoralidin
CID 5281806
Karanjin
CID 100633
Glycyrol
CID 5320083
7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethyl-2H-chromen-5-ol
CID 641378
Moracin M
CID 185848
Moracin C
CID 155248
Moracin N
CID 641376
Mulberrofuran H
CID 20056162
Moracin P
CID 25208124

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-hydroxy-1-benzofuran-6-yl)propyl]-5-propan-2-yl-1-benzofuran-6-ol?
The IUPAC name of 2-[2-(5-hydroxy-1-benzofuran-6-yl)propyl]-5-propan-2-yl-1-benzofuran-6-ol (CID 166973869) is 2-[2-(5-hydroxy-1-benzofuran-6-yl)propyl]-5-propan-2-yl-1-benzofuran-6-ol.
What is the SMILES notation for 2-[2-(5-hydroxy-1-benzofuran-6-yl)propyl]-5-propan-2-yl-1-benzofuran-6-ol?
The canonical SMILES for 2-[2-(5-hydroxy-1-benzofuran-6-yl)propyl]-5-propan-2-yl-1-benzofuran-6-ol is CC(C)c1cc2cc(CC(C)c3cc4occc4cc3O)oc2cc1O.
What is the InChIKey of 2-[2-(5-hydroxy-1-benzofuran-6-yl)propyl]-5-propan-2-yl-1-benzofuran-6-ol?
The InChIKey is CFNJSQSKNWMRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c1-12(2)17-8-15-7-16(26-22(15)11-20(17)24)6-13(3)18-10-21-14(4-5-25-21)9-19(18)23/h4-5,7-13,23-24H,6H2,1-3H3.
What are the key properties of 2-[2-(5-hydroxy-1-benzofuran-6-yl)propyl]-5-propan-2-yl-1-benzofuran-6-ol?
2-[2-(5-hydroxy-1-benzofuran-6-yl)propyl]-5-propan-2-yl-1-benzofuran-6-ol has a molecular weight of 350.41 g/mol, XLogP of 6.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-hydroxy-1-benzofuran-6-yl)propyl]-5-propan-2-yl-1-benzofuran-6-ol is sourced from PubChem (CID 166973869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).