2-(1-hydroxy-5-methylhex-4-enyl)-1-benzofuran-5-ol

C15H18O3 — CID 10610429

IUPAC2-(1-hydroxy-5-methylhex-4-enyl)-1-benzofuran-5-ol
SMILESCC(C)=CCCC(O)c1cc2cc(O)ccc2o1
InChIInChI=1S/C15H18O3/c1-10(2)4-3-5-13(17)15-9-11-8-12(16)6-7-14(11)18-15/h4,6-9,13,16-17H,3,5H2,1-2H3
InChIKeyPQFYUXKMWDLCDV-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.92
Rot. Bonds4

About 2-(1-hydroxy-5-methylhex-4-enyl)-1-benzofuran-5-ol

2-(1-hydroxy-5-methylhex-4-enyl)-1-benzofuran-5-ol (PubChem CID 10610429) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(1-hydroxy-5-methylhex-4-enyl)-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-(1-hydroxy-5-methylhex-4-enyl)-1-benzofuran-5-ol
PubChem CID10610429
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2-(1-hydroxy-5-methylhex-4-enyl)-1-benzofuran-5-ol
SMILESCC(C)=CCCC(O)c1cc2cc(O)ccc2o1
InChIInChI=1S/C15H18O3/c1-10(2)4-3-5-13(17)15-9-11-8-12(16)6-7-14(11)18-15/h4,6-9,13,16-17H,3,5H2,1-2H3
InChIKeyPQFYUXKMWDLCDV-UHFFFAOYSA-N
XLogP3.92
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-5-methylhex-4-enyl)-1-benzofuran-5-ol?
The IUPAC name of 2-(1-hydroxy-5-methylhex-4-enyl)-1-benzofuran-5-ol (CID 10610429) is 2-(1-hydroxy-5-methylhex-4-enyl)-1-benzofuran-5-ol.
What is the SMILES notation for 2-(1-hydroxy-5-methylhex-4-enyl)-1-benzofuran-5-ol?
The canonical SMILES for 2-(1-hydroxy-5-methylhex-4-enyl)-1-benzofuran-5-ol is CC(C)=CCCC(O)c1cc2cc(O)ccc2o1.
What is the InChIKey of 2-(1-hydroxy-5-methylhex-4-enyl)-1-benzofuran-5-ol?
The InChIKey is PQFYUXKMWDLCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-10(2)4-3-5-13(17)15-9-11-8-12(16)6-7-14(11)18-15/h4,6-9,13,16-17H,3,5H2,1-2H3.
What are the key properties of 2-(1-hydroxy-5-methylhex-4-enyl)-1-benzofuran-5-ol?
2-(1-hydroxy-5-methylhex-4-enyl)-1-benzofuran-5-ol has a molecular weight of 246.31 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-5-methylhex-4-enyl)-1-benzofuran-5-ol is sourced from PubChem (CID 10610429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).