4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol

C17H14O3 — CID 10355545

IUPAC4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol
SMILESC/C=C/c1ccc2oc(-c3ccc(O)cc3O)cc2c1
InChIInChI=1S/C17H14O3/c1-2-3-11-4-7-16-12(8-11)9-17(20-16)14-6-5-13(18)10-15(14)19/h2-10,18-19H,1H3/b3-2+
InChIKeySDWZWUUOXFFJSA-NSCUHMNNSA-N
MW266.30 g/mol
LogP4.54
Rot. Bonds2

About 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol

4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol (PubChem CID 10355545) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol
PubChem CID10355545
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol
SMILESC/C=C/c1ccc2oc(-c3ccc(O)cc3O)cc2c1
InChIInChI=1S/C17H14O3/c1-2-3-11-4-7-16-12(8-11)9-17(20-16)14-6-5-13(18)10-15(14)19/h2-10,18-19H,1H3/b3-2+
InChIKeySDWZWUUOXFFJSA-NSCUHMNNSA-N
XLogP4.54
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol 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 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol (CID 10355545) is 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol is C/C=C/c1ccc2oc(-c3ccc(O)cc3O)cc2c1.
What is the InChIKey of 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol?
The InChIKey is SDWZWUUOXFFJSA-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H14O3/c1-2-3-11-4-7-16-12(8-11)9-17(20-16)14-6-5-13(18)10-15(14)19/h2-10,18-19H,1H3/b3-2+.
What are the key properties of 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol?
4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol has a molecular weight of 266.30 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol is sourced from PubChem (CID 10355545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).