2-(2-phenylethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol

C19H20O2 — CID 15161039

IUPAC2-(2-phenylethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
SMILESC=CCc1cc2c(cc1O)CC(CCc1ccccc1)O2
InChIInChI=1S/C19H20O2/c1-2-6-15-13-19-16(12-18(15)20)11-17(21-19)10-9-14-7-4-3-5-8-14/h2-5,7-8,12-13,17,20H,1,6,9-11H2
InChIKeyPJSQAAMQSHXRTG-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.06
Rot. Bonds5

About 2-(2-phenylethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol

2-(2-phenylethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 15161039) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(2-phenylethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-(2-phenylethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID15161039
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2-(2-phenylethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
SMILESC=CCc1cc2c(cc1O)CC(CCc1ccccc1)O2
InChIInChI=1S/C19H20O2/c1-2-6-15-13-19-16(12-18(15)20)11-17(21-19)10-9-14-7-4-3-5-8-14/h2-5,7-8,12-13,17,20H,1,6,9-11H2
InChIKeyPJSQAAMQSHXRTG-UHFFFAOYSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 2-(2-phenylethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol (CID 15161039) is 2-(2-phenylethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 2-(2-phenylethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 2-(2-phenylethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol is C=CCc1cc2c(cc1O)CC(CCc1ccccc1)O2.
What is the InChIKey of 2-(2-phenylethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is PJSQAAMQSHXRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-6-15-13-19-16(12-18(15)20)11-17(21-19)10-9-14-7-4-3-5-8-14/h2-5,7-8,12-13,17,20H,1,6,9-11H2.
What are the key properties of 2-(2-phenylethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol?
2-(2-phenylethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 280.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 15161039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).