2-methyl-2-[(E)-prop-1-enyl]-3H-1-benzofuran

C12H14O — CID 14710488

IUPAC2-methyl-2-[(E)-prop-1-enyl]-3H-1-benzofuran
SMILESC/C=C/C1(C)Cc2ccccc2O1
InChIInChI=1S/C12H14O/c1-3-8-12(2)9-10-6-4-5-7-11(10)13-12/h3-8H,9H2,1-2H3/b8-3+
InChIKeyQTNWRRSGDYLBPT-FPYGCLRLSA-N
MW174.24 g/mol
LogP2.96
Rot. Bonds1

About 2-methyl-2-[(E)-prop-1-enyl]-3H-1-benzofuran

2-methyl-2-[(E)-prop-1-enyl]-3H-1-benzofuran (PubChem CID 14710488) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-methyl-2-[(E)-prop-1-enyl]-3H-1-benzofuran.

Molecular Properties

Compound Name2-methyl-2-[(E)-prop-1-enyl]-3H-1-benzofuran
PubChem CID14710488
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2-methyl-2-[(E)-prop-1-enyl]-3H-1-benzofuran
SMILESC/C=C/C1(C)Cc2ccccc2O1
InChIInChI=1S/C12H14O/c1-3-8-12(2)9-10-6-4-5-7-11(10)13-12/h3-8H,9H2,1-2H3/b8-3+
InChIKeyQTNWRRSGDYLBPT-FPYGCLRLSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-2-[(E)-prop-1-enyl]-3H-1-benzofuran?
The IUPAC name of 2-methyl-2-[(E)-prop-1-enyl]-3H-1-benzofuran (CID 14710488) is 2-methyl-2-[(E)-prop-1-enyl]-3H-1-benzofuran.
What is the SMILES notation for 2-methyl-2-[(E)-prop-1-enyl]-3H-1-benzofuran?
The canonical SMILES for 2-methyl-2-[(E)-prop-1-enyl]-3H-1-benzofuran is C/C=C/C1(C)Cc2ccccc2O1.
What is the InChIKey of 2-methyl-2-[(E)-prop-1-enyl]-3H-1-benzofuran?
The InChIKey is QTNWRRSGDYLBPT-FPYGCLRLSA-N. The full InChI is InChI=1S/C12H14O/c1-3-8-12(2)9-10-6-4-5-7-11(10)13-12/h3-8H,9H2,1-2H3/b8-3+.
What are the key properties of 2-methyl-2-[(E)-prop-1-enyl]-3H-1-benzofuran?
2-methyl-2-[(E)-prop-1-enyl]-3H-1-benzofuran has a molecular weight of 174.24 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-prop-1-enyl]-3H-1-benzofuran is sourced from PubChem (CID 14710488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).