4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol

C17H14O2 — CID 53483951

IUPAC4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
SMILESC/C=C/c1ccc2oc(-c3ccc(O)cc3)cc2c1
InChIInChI=1S/C17H14O2/c1-2-3-12-4-9-16-14(10-12)11-17(19-16)13-5-7-15(18)8-6-13/h2-11,18H,1H3/b3-2+
InChIKeyOAMUEWCGJSSPRS-NSCUHMNNSA-N
MW250.30 g/mol
LogP4.84
Rot. Bonds2

About 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol

4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol (PubChem CID 53483951) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol.

Molecular Properties

Compound Name4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
PubChem CID53483951
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
SMILESC/C=C/c1ccc2oc(-c3ccc(O)cc3)cc2c1
InChIInChI=1S/C17H14O2/c1-2-3-12-4-9-16-14(10-12)11-17(19-16)13-5-7-15(18)8-6-13/h2-11,18H,1H3/b3-2+
InChIKeyOAMUEWCGJSSPRS-NSCUHMNNSA-N
XLogP4.84
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
The IUPAC name of 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol (CID 53483951) is 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol.
What is the SMILES notation for 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
The canonical SMILES for 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol is C/C=C/c1ccc2oc(-c3ccc(O)cc3)cc2c1.
What is the InChIKey of 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
The InChIKey is OAMUEWCGJSSPRS-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H14O2/c1-2-3-12-4-9-16-14(10-12)11-17(19-16)13-5-7-15(18)8-6-13/h2-11,18H,1H3/b3-2+.
What are the key properties of 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol has a molecular weight of 250.30 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol is sourced from PubChem (CID 53483951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).