3-(chloromethyl)benzo[g][1]benzofuran

C13H9ClO — CID 25132169

IUPAC3-(chloromethyl)benzo[g][1]benzofuran
SMILESClCc1coc2c1ccc1ccccc12
InChIInChI=1S/C13H9ClO/c14-7-10-8-15-13-11-4-2-1-3-9(11)5-6-12(10)13/h1-6,8H,7H2
InChIKeySTXCHCRAOCCYLN-UHFFFAOYSA-N
MW216.67 g/mol
LogP4.32
Rot. Bonds1

About 3-(chloromethyl)benzo[g][1]benzofuran

3-(chloromethyl)benzo[g][1]benzofuran (PubChem CID 25132169) has the molecular formula C13H9ClO and a molecular weight of 216.67 g/mol. Its IUPAC name is 3-(chloromethyl)benzo[g][1]benzofuran.

Molecular Properties

Compound Name3-(chloromethyl)benzo[g][1]benzofuran
PubChem CID25132169
Molecular FormulaC13H9ClO
Molecular Weight216.67 g/mol
Exact Mass216.03
IUPAC Name3-(chloromethyl)benzo[g][1]benzofuran
SMILESClCc1coc2c1ccc1ccccc12
InChIInChI=1S/C13H9ClO/c14-7-10-8-15-13-11-4-2-1-3-9(11)5-6-12(10)13/h1-6,8H,7H2
InChIKeySTXCHCRAOCCYLN-UHFFFAOYSA-N
XLogP4.32
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 54.32
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

3-(2-iodophenyl)benzo[g][1]benzofuran
CID 155128272
3-(2-phenylphenyl)benzo[g][1]benzofuran
CID 176856254
3-(4-fluorophenyl)benzo[g][1]benzofuran
CID 100994314
benzo[e][1]benzofuran-1-ylmethanol
CID 13405240
1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran
CID 166545020
2-methoxyethyl benzo[g][1]benzofuran-3-carboxylate
CID 175808262
chrysene;iron
CID 157379031
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
[2-(chloromethyl)phenanthren-1-yl]methanimine
CID 144673749
3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione
CID 170181374
ethene;picene
CID 175286520

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)benzo[g][1]benzofuran?
The IUPAC name of 3-(chloromethyl)benzo[g][1]benzofuran (CID 25132169) is 3-(chloromethyl)benzo[g][1]benzofuran.
What is the SMILES notation for 3-(chloromethyl)benzo[g][1]benzofuran?
The canonical SMILES for 3-(chloromethyl)benzo[g][1]benzofuran is ClCc1coc2c1ccc1ccccc12.
What is the InChIKey of 3-(chloromethyl)benzo[g][1]benzofuran?
The InChIKey is STXCHCRAOCCYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO/c14-7-10-8-15-13-11-4-2-1-3-9(11)5-6-12(10)13/h1-6,8H,7H2.
What are the key properties of 3-(chloromethyl)benzo[g][1]benzofuran?
3-(chloromethyl)benzo[g][1]benzofuran has a molecular weight of 216.67 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)benzo[g][1]benzofuran is sourced from PubChem (CID 25132169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).