7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran

C15H10ClFO2 — CID 117181095

IUPAC7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
SMILESFc1ccc(OCc2coc3c(Cl)cccc23)cc1
InChIInChI=1S/C15H10ClFO2/c16-14-3-1-2-13-10(9-19-15(13)14)8-18-12-6-4-11(17)5-7-12/h1-7,9H,8H2
InChIKeyWMRZKCKYXVXXFG-UHFFFAOYSA-N
MW276.69 g/mol
LogP4.80
Rot. Bonds3

About 7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran

7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran (PubChem CID 117181095) has the molecular formula C15H10ClFO2 and a molecular weight of 276.69 g/mol. Its IUPAC name is 7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran.

Molecular Properties

Compound Name7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
PubChem CID117181095
Molecular FormulaC15H10ClFO2
Molecular Weight276.69 g/mol
Exact Mass276.04
IUPAC Name7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
SMILESFc1ccc(OCc2coc3c(Cl)cccc23)cc1
InChIInChI=1S/C15H10ClFO2/c16-14-3-1-2-13-10(9-19-15(13)14)8-18-12-6-4-11(17)5-7-12/h1-7,9H,8H2
InChIKeyWMRZKCKYXVXXFG-UHFFFAOYSA-N
XLogP4.80
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid
CID 117181176
O-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117197472
4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole
CID 141124800
3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran
CID 117186097
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol
CID 117181099
3-[(4-bromophenoxy)methyl]-1-benzofuran-7-amine
CID 117181089
7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
CID 117181081
3-(phenoxymethyl)-1-benzofuran-7-amine
CID 117181023
3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine
CID 117181082
3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-7-amine
CID 117181079
4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117170411
[3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117180951

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran?
The IUPAC name of 7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran (CID 117181095) is 7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran.
What is the SMILES notation for 7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran?
The canonical SMILES for 7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran is Fc1ccc(OCc2coc3c(Cl)cccc23)cc1.
What is the InChIKey of 7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran?
The InChIKey is WMRZKCKYXVXXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFO2/c16-14-3-1-2-13-10(9-19-15(13)14)8-18-12-6-4-11(17)5-7-12/h1-7,9H,8H2.
What are the key properties of 7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran?
7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran has a molecular weight of 276.69 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran is sourced from PubChem (CID 117181095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).