4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol

C18H16O2 — CID 6261723

IUPAC4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
SMILESC/C=C/c1ccc2oc(-c3ccc(O)cc3)c(C)c2c1
InChIInChI=1S/C18H16O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-11,19H,1-2H3/b4-3+
InChIKeyKNFUWJAIDVAYOV-ONEGZZNKSA-N
MW264.32 g/mol
LogP5.15
Rot. Bonds2

About 4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol

4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol (PubChem CID 6261723) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol.

Molecular Properties

Compound Name4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
PubChem CID6261723
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
SMILESC/C=C/c1ccc2oc(-c3ccc(O)cc3)c(C)c2c1
InChIInChI=1S/C18H16O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-11,19H,1-2H3/b4-3+
InChIKeyKNFUWJAIDVAYOV-ONEGZZNKSA-N
XLogP5.15
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.32
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
The IUPAC name of 4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol (CID 6261723) is 4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol.
What is the SMILES notation for 4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
The canonical SMILES for 4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol is C/C=C/c1ccc2oc(-c3ccc(O)cc3)c(C)c2c1.
What is the InChIKey of 4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
The InChIKey is KNFUWJAIDVAYOV-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H16O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-11,19H,1-2H3/b4-3+.
What are the key properties of 4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol?
4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol has a molecular weight of 264.32 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol is sourced from PubChem (CID 6261723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).