2-[(Z)-5-chloropent-2-en-2-yl]-5-methyl-1-benzofuran

C14H15ClO — CID 114735233

IUPAC2-[(Z)-5-chloropent-2-en-2-yl]-5-methyl-1-benzofuran
SMILESC/C(=C/CCCl)c1cc2cc(C)ccc2o1
InChIInChI=1S/C14H15ClO/c1-10-5-6-13-12(8-10)9-14(16-13)11(2)4-3-7-15/h4-6,8-9H,3,7H2,1-2H3/b11-4-
InChIKeyHIKNQAIIILWTGF-WCIBSUBMSA-N
MW234.73 g/mol
LogP4.77
Rot. Bonds3

About 2-[(Z)-5-chloropent-2-en-2-yl]-5-methyl-1-benzofuran

2-[(Z)-5-chloropent-2-en-2-yl]-5-methyl-1-benzofuran (PubChem CID 114735233) has the molecular formula C14H15ClO and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-[(Z)-5-chloropent-2-en-2-yl]-5-methyl-1-benzofuran.

Molecular Properties

Compound Name2-[(Z)-5-chloropent-2-en-2-yl]-5-methyl-1-benzofuran
PubChem CID114735233
Molecular FormulaC14H15ClO
Molecular Weight234.73 g/mol
Exact Mass234.08
IUPAC Name2-[(Z)-5-chloropent-2-en-2-yl]-5-methyl-1-benzofuran
SMILESC/C(=C/CCCl)c1cc2cc(C)ccc2o1
InChIInChI=1S/C14H15ClO/c1-10-5-6-13-12(8-10)9-14(16-13)11(2)4-3-7-15/h4-6,8-9H,3,7H2,1-2H3/b11-4-
InChIKeyHIKNQAIIILWTGF-WCIBSUBMSA-N
XLogP4.77
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 54.77
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

N-(2-chloroethyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 63391619
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
2-[(Z)-5-bromopent-2-en-2-yl]-5-fluoro-1-benzofuran
CID 114735245
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
CID 177170487
N-(2-hydroxypropyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 62335366
N-(3-chlorobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 113272749
5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide
CID 115409727
1-(5-methyl-1-benzofuran-2-yl)prop-2-yn-1-one
CID 105108138
N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 63731357
(5-methyl-1-benzofuran-2-yl)methanethiol
CID 117185273
4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one
CID 114737056

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-5-chloropent-2-en-2-yl]-5-methyl-1-benzofuran?
The IUPAC name of 2-[(Z)-5-chloropent-2-en-2-yl]-5-methyl-1-benzofuran (CID 114735233) is 2-[(Z)-5-chloropent-2-en-2-yl]-5-methyl-1-benzofuran.
What is the SMILES notation for 2-[(Z)-5-chloropent-2-en-2-yl]-5-methyl-1-benzofuran?
The canonical SMILES for 2-[(Z)-5-chloropent-2-en-2-yl]-5-methyl-1-benzofuran is C/C(=C/CCCl)c1cc2cc(C)ccc2o1.
What is the InChIKey of 2-[(Z)-5-chloropent-2-en-2-yl]-5-methyl-1-benzofuran?
The InChIKey is HIKNQAIIILWTGF-WCIBSUBMSA-N. The full InChI is InChI=1S/C14H15ClO/c1-10-5-6-13-12(8-10)9-14(16-13)11(2)4-3-7-15/h4-6,8-9H,3,7H2,1-2H3/b11-4-.
What are the key properties of 2-[(Z)-5-chloropent-2-en-2-yl]-5-methyl-1-benzofuran?
2-[(Z)-5-chloropent-2-en-2-yl]-5-methyl-1-benzofuran has a molecular weight of 234.73 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-5-chloropent-2-en-2-yl]-5-methyl-1-benzofuran is sourced from PubChem (CID 114735233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).