2-(2-chloroethyl)-7-methyl-1-benzofuran

C11H11ClO — CID 114732789

IUPAC2-(2-chloroethyl)-7-methyl-1-benzofuran
SMILESCc1cccc2cc(CCCl)oc12
InChIInChI=1S/C11H11ClO/c1-8-3-2-4-9-7-10(5-6-12)13-11(8)9/h2-4,7H,5-6H2,1H3
InChIKeyVMOGZXDWUDDRLG-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.52
Rot. Bonds2

About 2-(2-chloroethyl)-7-methyl-1-benzofuran

2-(2-chloroethyl)-7-methyl-1-benzofuran (PubChem CID 114732789) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-(2-chloroethyl)-7-methyl-1-benzofuran.

Molecular Properties

Compound Name2-(2-chloroethyl)-7-methyl-1-benzofuran
PubChem CID114732789
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name2-(2-chloroethyl)-7-methyl-1-benzofuran
SMILESCc1cccc2cc(CCCl)oc12
InChIInChI=1S/C11H11ClO/c1-8-3-2-4-9-7-10(5-6-12)13-11(8)9/h2-4,7H,5-6H2,1H3
InChIKeyVMOGZXDWUDDRLG-UHFFFAOYSA-N
XLogP3.52
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 53.52
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

2-(methoxymethyl)-7-methyl-1-benzofuran
CID 117186379
7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117186365
1-cyclopropyl-3-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 114733478
[4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105235506
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
3-butyl-8-methylchromen-2-one
CID 162411292
ethyl 5-(7-methyl-1-benzofuran-2-yl)-4-oxopentanoate
CID 114733054
3-(7-chloro-1-benzofuran-2-yl)propanal
CID 114733142
7-methyl-1-benzofuran-2-carbaldehyde
CID 10511153
7-bromo-2-(chloromethyl)-1-benzofuran
CID 103027295
N-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
CID 106888159
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-7-methyl-1-benzofuran?
The IUPAC name of 2-(2-chloroethyl)-7-methyl-1-benzofuran (CID 114732789) is 2-(2-chloroethyl)-7-methyl-1-benzofuran.
What is the SMILES notation for 2-(2-chloroethyl)-7-methyl-1-benzofuran?
The canonical SMILES for 2-(2-chloroethyl)-7-methyl-1-benzofuran is Cc1cccc2cc(CCCl)oc12.
What is the InChIKey of 2-(2-chloroethyl)-7-methyl-1-benzofuran?
The InChIKey is VMOGZXDWUDDRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c1-8-3-2-4-9-7-10(5-6-12)13-11(8)9/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-(2-chloroethyl)-7-methyl-1-benzofuran?
2-(2-chloroethyl)-7-methyl-1-benzofuran has a molecular weight of 194.66 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-7-methyl-1-benzofuran is sourced from PubChem (CID 114732789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).