3,6-dimethyl-2-(3-methylbut-2-enyl)-1-benzofuran-5-ol

C15H18O2 — CID 10398970

IUPAC3,6-dimethyl-2-(3-methylbut-2-enyl)-1-benzofuran-5-ol
SMILESCC(C)=CCc1oc2cc(C)c(O)cc2c1C
InChIInChI=1S/C15H18O2/c1-9(2)5-6-14-11(4)12-8-13(16)10(3)7-15(12)17-14/h5,7-8,16H,6H2,1-4H3
InChIKeyBVWSXPXKZJKORS-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.26
Rot. Bonds2

About 3,6-dimethyl-2-(3-methylbut-2-enyl)-1-benzofuran-5-ol

3,6-dimethyl-2-(3-methylbut-2-enyl)-1-benzofuran-5-ol (PubChem CID 10398970) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3,6-dimethyl-2-(3-methylbut-2-enyl)-1-benzofuran-5-ol.

Molecular Properties

Compound Name3,6-dimethyl-2-(3-methylbut-2-enyl)-1-benzofuran-5-ol
PubChem CID10398970
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3,6-dimethyl-2-(3-methylbut-2-enyl)-1-benzofuran-5-ol
SMILESCC(C)=CCc1oc2cc(C)c(O)cc2c1C
InChIInChI=1S/C15H18O2/c1-9(2)5-6-14-11(4)12-8-13(16)10(3)7-15(12)17-14/h5,7-8,16H,6H2,1-4H3
InChIKeyBVWSXPXKZJKORS-UHFFFAOYSA-N
XLogP4.26
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3,6-dimethyl-2-(3-methylbut-2-enyl)-1-benzofuran-5-ol?
The IUPAC name of 3,6-dimethyl-2-(3-methylbut-2-enyl)-1-benzofuran-5-ol (CID 10398970) is 3,6-dimethyl-2-(3-methylbut-2-enyl)-1-benzofuran-5-ol.
What is the SMILES notation for 3,6-dimethyl-2-(3-methylbut-2-enyl)-1-benzofuran-5-ol?
The canonical SMILES for 3,6-dimethyl-2-(3-methylbut-2-enyl)-1-benzofuran-5-ol is CC(C)=CCc1oc2cc(C)c(O)cc2c1C.
What is the InChIKey of 3,6-dimethyl-2-(3-methylbut-2-enyl)-1-benzofuran-5-ol?
The InChIKey is BVWSXPXKZJKORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-9(2)5-6-14-11(4)12-8-13(16)10(3)7-15(12)17-14/h5,7-8,16H,6H2,1-4H3.
What are the key properties of 3,6-dimethyl-2-(3-methylbut-2-enyl)-1-benzofuran-5-ol?
3,6-dimethyl-2-(3-methylbut-2-enyl)-1-benzofuran-5-ol has a molecular weight of 230.31 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-(3-methylbut-2-enyl)-1-benzofuran-5-ol is sourced from PubChem (CID 10398970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).