2-[(E)-but-1-enyl]-5-chloro-2,3-dihydro-1-benzofuran

C12H13ClO — CID 67262425

IUPAC2-[(E)-but-1-enyl]-5-chloro-2,3-dihydro-1-benzofuran
SMILESCC/C=C/C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C12H13ClO/c1-2-3-4-11-8-9-7-10(13)5-6-12(9)14-11/h3-7,11H,2,8H2,1H3/b4-3+
InChIKeyQUEUXASRYHKLOL-ONEGZZNKSA-N
MW208.69 g/mol
LogP3.61
Rot. Bonds2

About 2-[(E)-but-1-enyl]-5-chloro-2,3-dihydro-1-benzofuran

2-[(E)-but-1-enyl]-5-chloro-2,3-dihydro-1-benzofuran (PubChem CID 67262425) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]-5-chloro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]-5-chloro-2,3-dihydro-1-benzofuran
PubChem CID67262425
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name2-[(E)-but-1-enyl]-5-chloro-2,3-dihydro-1-benzofuran
SMILESCC/C=C/C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C12H13ClO/c1-2-3-4-11-8-9-7-10(13)5-6-12(9)14-11/h3-7,11H,2,8H2,1H3/b4-3+
InChIKeyQUEUXASRYHKLOL-ONEGZZNKSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.61
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-[(E)-but-1-enyl]-5-chloro-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[(E)-but-1-enyl]-5-chloro-2,3-dihydro-1-benzofuran (CID 67262425) is 2-[(E)-but-1-enyl]-5-chloro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[(E)-but-1-enyl]-5-chloro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[(E)-but-1-enyl]-5-chloro-2,3-dihydro-1-benzofuran is CC/C=C/C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 2-[(E)-but-1-enyl]-5-chloro-2,3-dihydro-1-benzofuran?
The InChIKey is QUEUXASRYHKLOL-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H13ClO/c1-2-3-4-11-8-9-7-10(13)5-6-12(9)14-11/h3-7,11H,2,8H2,1H3/b4-3+.
What are the key properties of 2-[(E)-but-1-enyl]-5-chloro-2,3-dihydro-1-benzofuran?
2-[(E)-but-1-enyl]-5-chloro-2,3-dihydro-1-benzofuran has a molecular weight of 208.69 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-enyl]-5-chloro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 67262425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).