5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran

C12H13ClO — CID 170499269

IUPAC5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran
SMILESClCCC=Cc1ccc2c(c1)CCO2
InChIInChI=1S/C12H13ClO/c13-7-2-1-3-10-4-5-12-11(9-10)6-8-14-12/h1,3-5,9H,2,6-8H2
InChIKeyHFXYQJPZKHKZSS-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.26
Rot. Bonds3

About 5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran

5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran (PubChem CID 170499269) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran
PubChem CID170499269
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran
SMILESClCCC=Cc1ccc2c(c1)CCO2
InChIInChI=1S/C12H13ClO/c13-7-2-1-3-10-4-5-12-11(9-10)6-8-14-12/h1,3-5,9H,2,6-8H2
InChIKeyHFXYQJPZKHKZSS-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenol
CID 90352085
N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79346860
N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide
CID 169465576
5-[(E)-3-chlorobut-1-enyl]-2,3-dihydro-1-benzofuran
CID 130539002
ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate
CID 170796261
3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 143200425
5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 79837255
propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 112725026
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-hydroxybutyl)-N-methylprop-2-enamide
CID 115673385
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-hydroxybutyl)-N-methylprop-2-enamide
CID 111695649

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran (CID 170499269) is 5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran is ClCCC=Cc1ccc2c(c1)CCO2.
What is the InChIKey of 5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran?
The InChIKey is HFXYQJPZKHKZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c13-7-2-1-3-10-4-5-12-11(9-10)6-8-14-12/h1,3-5,9H,2,6-8H2.
What are the key properties of 5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran?
5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran has a molecular weight of 208.69 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 170499269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).