3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran

C23H18O — CID 102483840

IUPAC3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran
SMILESC(=C/c1oc2ccccc2c1Cc1ccccc1)\c1ccccc1
InChIInChI=1S/C23H18O/c1-3-9-18(10-4-1)15-16-23-21(17-19-11-5-2-6-12-19)20-13-7-8-14-22(20)24-23/h1-16H,17H2/b16-15+
InChIKeyGKQITAPOSZGTOM-FOCLMDBBSA-N
MW310.40 g/mol
LogP6.19
Rot. Bonds4

About 3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran

3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran (PubChem CID 102483840) has the molecular formula C23H18O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran.

Molecular Properties

Compound Name3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran
PubChem CID102483840
Molecular FormulaC23H18O
Molecular Weight310.40 g/mol
Exact Mass310.14
IUPAC Name3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran
SMILESC(=C/c1oc2ccccc2c1Cc1ccccc1)\c1ccccc1
InChIInChI=1S/C23H18O/c1-3-9-18(10-4-1)15-16-23-21(17-19-11-5-2-6-12-19)20-13-7-8-14-22(20)24-23/h1-16H,17H2/b16-15+
InChIKeyGKQITAPOSZGTOM-FOCLMDBBSA-N
XLogP6.19
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[(E)-2-phenylethenyl]-1-benzofuran-3-yl]methanol
CID 11265190
3-methyl-2-(2-phenylethenyl)chromen-4-one
CID 85448922
3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
CID 735040
3-benzyl-2-pentyl-1-benzofuran
CID 101375097
4-oxo-2-[(E)-2-phenylethenyl]-3-propylchromene-6-carboxylic acid
CID 12533697
3-acetyl-4-benzylchromen-2-one
CID 100994271
4-[2-(3-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline
CID 91347052
CID 172712410
CID 172712410
3-benzyl-4-hydroxychromen-2-one;ethane
CID 91487265
2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one
CID 5368373
4-anilino-3-benzylchromene-2-thione
CID 161064373
1-(2-benzyl-1-benzofuran-3-yl)ethanone
CID 13024727

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran?
The IUPAC name of 3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran (CID 102483840) is 3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran.
What is the SMILES notation for 3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran?
The canonical SMILES for 3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran is C(=C/c1oc2ccccc2c1Cc1ccccc1)\c1ccccc1.
What is the InChIKey of 3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran?
The InChIKey is GKQITAPOSZGTOM-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H18O/c1-3-9-18(10-4-1)15-16-23-21(17-19-11-5-2-6-12-19)20-13-7-8-14-22(20)24-23/h1-16H,17H2/b16-15+.
What are the key properties of 3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran?
3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran has a molecular weight of 310.40 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran is sourced from PubChem (CID 102483840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).