3-(chloromethylidene)-1-benzofuran

C9H7ClO — CID 177398897

IUPAC3-(chloromethylidene)-1-benzofuran
SMILESClC=C1COc2ccccc21
InChIInChI=1S/C9H7ClO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-5H,6H2
InChIKeyINCMYCYUMCJRPQ-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.66
Rot. Bonds

About 3-(chloromethylidene)-1-benzofuran

3-(chloromethylidene)-1-benzofuran (PubChem CID 177398897) has the molecular formula C9H7ClO and a molecular weight of 166.61 g/mol. Its IUPAC name is 3-(chloromethylidene)-1-benzofuran.

Molecular Properties

Compound Name3-(chloromethylidene)-1-benzofuran
PubChem CID177398897
Molecular FormulaC9H7ClO
Molecular Weight166.61 g/mol
Exact Mass166.02
IUPAC Name3-(chloromethylidene)-1-benzofuran
SMILESClC=C1COc2ccccc21
InChIInChI=1S/C9H7ClO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-5H,6H2
InChIKeyINCMYCYUMCJRPQ-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3E)-3-(fluoromethylidene)-1-benzofuran
CID 177400604
3-benzylidene-1-benzofuran
CID 72960863
2-(1-benzofuran-3-ylidenemethyl)phenol
CID 175329416
3-fluoro-2H-chromen-4-ol
CID 175979949
[(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane
CID 177489225
6H-benzo[c]chromene;hydrobromide
CID 70547533
(3E)-3-(piperidin-1-ylmethylidene)chromen-4-one
CID 12626428
3-chloro-5H-chromeno[4,3-b]pyridine
CID 15748939
1-benzofuran-3-one;ethane
CID 90876800
3-[(4-bromophenyl)methylidene]chromen-4-one
CID 915612
(3E)-3-(cyclohexylmethylidene)chromen-4-one
CID 135076028
3-[(4-fluorophenyl)methylidene]chromen-4-one
CID 901865

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethylidene)-1-benzofuran?
The IUPAC name of 3-(chloromethylidene)-1-benzofuran (CID 177398897) is 3-(chloromethylidene)-1-benzofuran.
What is the SMILES notation for 3-(chloromethylidene)-1-benzofuran?
The canonical SMILES for 3-(chloromethylidene)-1-benzofuran is ClC=C1COc2ccccc21.
What is the InChIKey of 3-(chloromethylidene)-1-benzofuran?
The InChIKey is INCMYCYUMCJRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-5H,6H2.
What are the key properties of 3-(chloromethylidene)-1-benzofuran?
3-(chloromethylidene)-1-benzofuran has a molecular weight of 166.61 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethylidene)-1-benzofuran is sourced from PubChem (CID 177398897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).