2-(2-phenylethyl)-3-prop-2-enyl-1-benzofuran

C19H18O — CID 101375091

IUPAC2-(2-phenylethyl)-3-prop-2-enyl-1-benzofuran
SMILESC=CCc1c(CCc2ccccc2)oc2ccccc12
InChIInChI=1S/C19H18O/c1-2-8-16-17-11-6-7-12-18(17)20-19(16)14-13-15-9-4-3-5-10-15/h2-7,9-12H,1,8,13-14H2
InChIKeyVILFJNKPKDQAHE-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.95
Rot. Bonds5

About 2-(2-phenylethyl)-3-prop-2-enyl-1-benzofuran

2-(2-phenylethyl)-3-prop-2-enyl-1-benzofuran (PubChem CID 101375091) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-phenylethyl)-3-prop-2-enyl-1-benzofuran.

Molecular Properties

Compound Name2-(2-phenylethyl)-3-prop-2-enyl-1-benzofuran
PubChem CID101375091
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name2-(2-phenylethyl)-3-prop-2-enyl-1-benzofuran
SMILESC=CCc1c(CCc2ccccc2)oc2ccccc12
InChIInChI=1S/C19H18O/c1-2-8-16-17-11-6-7-12-18(17)20-19(16)14-13-15-9-4-3-5-10-15/h2-7,9-12H,1,8,13-14H2
InChIKeyVILFJNKPKDQAHE-UHFFFAOYSA-N
XLogP4.95
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-3-prop-2-enyl-1-benzofuran
CID 15441762
3-[(E)-2-methyl-3-phenylprop-2-enyl]-2-prop-2-enyl-1-benzofuran
CID 134900679
(3-prop-2-enyl-1-benzofuran-2-yl)carbamic acid
CID 70452250
3-benzyl-2-pentyl-1-benzofuran
CID 101375097
4-hydroxy-3-prop-2-enylchromen-2-one
CID 54710499
prop-2-enylbenzene
CID 159998516
4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol
CID 23445648
2-oxo-4-(2-phenylethyl)chromene-3-carboxylic acid
CID 101228939
phosphane;prop-2-enylbenzene
CID 87328808
prop-2-enylbenzene;dihydrochloride
CID 174768742
CID 173215164
CID 173215164
4-ethenyl-5-(2-phenylethyl)-1,3-dioxol-2-one
CID 141464304

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-3-prop-2-enyl-1-benzofuran?
The IUPAC name of 2-(2-phenylethyl)-3-prop-2-enyl-1-benzofuran (CID 101375091) is 2-(2-phenylethyl)-3-prop-2-enyl-1-benzofuran.
What is the SMILES notation for 2-(2-phenylethyl)-3-prop-2-enyl-1-benzofuran?
The canonical SMILES for 2-(2-phenylethyl)-3-prop-2-enyl-1-benzofuran is C=CCc1c(CCc2ccccc2)oc2ccccc12.
What is the InChIKey of 2-(2-phenylethyl)-3-prop-2-enyl-1-benzofuran?
The InChIKey is VILFJNKPKDQAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-2-8-16-17-11-6-7-12-18(17)20-19(16)14-13-15-9-4-3-5-10-15/h2-7,9-12H,1,8,13-14H2.
What are the key properties of 2-(2-phenylethyl)-3-prop-2-enyl-1-benzofuran?
2-(2-phenylethyl)-3-prop-2-enyl-1-benzofuran has a molecular weight of 262.35 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-3-prop-2-enyl-1-benzofuran is sourced from PubChem (CID 101375091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).