3-[(E)-4-phenylbut-3-en-2-yl]-2,3-dihydro-1-benzofuran

C18H18O — CID 102100111

IUPAC3-[(E)-4-phenylbut-3-en-2-yl]-2,3-dihydro-1-benzofuran
SMILESCC(/C=C/c1ccccc1)C1COc2ccccc21
InChIInChI=1S/C18H18O/c1-14(11-12-15-7-3-2-4-8-15)17-13-19-18-10-6-5-9-16(17)18/h2-12,14,17H,13H2,1H3/b12-11+
InChIKeyHPTBAHJSSNAGHQ-VAWYXSNFSA-N
MW250.34 g/mol
LogP4.51
Rot. Bonds3

About 3-[(E)-4-phenylbut-3-en-2-yl]-2,3-dihydro-1-benzofuran

3-[(E)-4-phenylbut-3-en-2-yl]-2,3-dihydro-1-benzofuran (PubChem CID 102100111) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[(E)-4-phenylbut-3-en-2-yl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name3-[(E)-4-phenylbut-3-en-2-yl]-2,3-dihydro-1-benzofuran
PubChem CID102100111
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name3-[(E)-4-phenylbut-3-en-2-yl]-2,3-dihydro-1-benzofuran
SMILESCC(/C=C/c1ccccc1)C1COc2ccccc21
InChIInChI=1S/C18H18O/c1-14(11-12-15-7-3-2-4-8-15)17-13-19-18-10-6-5-9-16(17)18/h2-12,14,17H,13H2,1H3/b12-11+
InChIKeyHPTBAHJSSNAGHQ-VAWYXSNFSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2,3-dihydro-1-benzofuran-3-yl-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105262807
[1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbutyl]hydrazine
CID 105262585
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol
CID 82822455
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
(3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 174973153
(2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine
CID 129423692
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol
CID 114645295
1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 86789866
3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523757
[1-(2,3-dihydro-1-benzofuran-3-yl)-3-methylhexyl]hydrazine
CID 105262689
3-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 115484743

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-4-phenylbut-3-en-2-yl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 3-[(E)-4-phenylbut-3-en-2-yl]-2,3-dihydro-1-benzofuran (CID 102100111) is 3-[(E)-4-phenylbut-3-en-2-yl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 3-[(E)-4-phenylbut-3-en-2-yl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 3-[(E)-4-phenylbut-3-en-2-yl]-2,3-dihydro-1-benzofuran is CC(/C=C/c1ccccc1)C1COc2ccccc21.
What is the InChIKey of 3-[(E)-4-phenylbut-3-en-2-yl]-2,3-dihydro-1-benzofuran?
The InChIKey is HPTBAHJSSNAGHQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H18O/c1-14(11-12-15-7-3-2-4-8-15)17-13-19-18-10-6-5-9-16(17)18/h2-12,14,17H,13H2,1H3/b12-11+.
What are the key properties of 3-[(E)-4-phenylbut-3-en-2-yl]-2,3-dihydro-1-benzofuran?
3-[(E)-4-phenylbut-3-en-2-yl]-2,3-dihydro-1-benzofuran has a molecular weight of 250.34 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-4-phenylbut-3-en-2-yl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 102100111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).