3-prop-2-enyl-2H-1-benzofuran-3,6-diol

C11H12O3 — CID 130032721

IUPAC3-prop-2-enyl-2H-1-benzofuran-3,6-diol
SMILESC=CCC1(O)COc2cc(O)ccc21
InChIInChI=1S/C11H12O3/c1-2-5-11(13)7-14-10-6-8(12)3-4-9(10)11/h2-4,6,12-13H,1,5,7H2
InChIKeyISCVDTCVMQZBQJ-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.55
Rot. Bonds2

About 3-prop-2-enyl-2H-1-benzofuran-3,6-diol

3-prop-2-enyl-2H-1-benzofuran-3,6-diol (PubChem CID 130032721) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-prop-2-enyl-2H-1-benzofuran-3,6-diol.

Molecular Properties

Compound Name3-prop-2-enyl-2H-1-benzofuran-3,6-diol
PubChem CID130032721
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-prop-2-enyl-2H-1-benzofuran-3,6-diol
SMILESC=CCC1(O)COc2cc(O)ccc21
InChIInChI=1S/C11H12O3/c1-2-5-11(13)7-14-10-6-8(12)3-4-9(10)11/h2-4,6,12-13H,1,5,7H2
InChIKeyISCVDTCVMQZBQJ-UHFFFAOYSA-N
XLogP1.55
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.55
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 3-prop-2-enyl-2H-1-benzofuran-3,6-diol?
The IUPAC name of 3-prop-2-enyl-2H-1-benzofuran-3,6-diol (CID 130032721) is 3-prop-2-enyl-2H-1-benzofuran-3,6-diol.
What is the SMILES notation for 3-prop-2-enyl-2H-1-benzofuran-3,6-diol?
The canonical SMILES for 3-prop-2-enyl-2H-1-benzofuran-3,6-diol is C=CCC1(O)COc2cc(O)ccc21.
What is the InChIKey of 3-prop-2-enyl-2H-1-benzofuran-3,6-diol?
The InChIKey is ISCVDTCVMQZBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-2-5-11(13)7-14-10-6-8(12)3-4-9(10)11/h2-4,6,12-13H,1,5,7H2.
What are the key properties of 3-prop-2-enyl-2H-1-benzofuran-3,6-diol?
3-prop-2-enyl-2H-1-benzofuran-3,6-diol has a molecular weight of 192.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-2H-1-benzofuran-3,6-diol is sourced from PubChem (CID 130032721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).