3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran

C16H13ClO2 — CID 117186097

IUPAC3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran
SMILESCc1cccc2c(COc3ccc(Cl)cc3)coc12
InChIInChI=1S/C16H13ClO2/c1-11-3-2-4-15-12(10-19-16(11)15)9-18-14-7-5-13(17)6-8-14/h2-8,10H,9H2,1H3
InChIKeyALIQENFKFYWQIF-UHFFFAOYSA-N
MW272.73 g/mol
LogP4.97
Rot. Bonds3

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

3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran (PubChem CID 117186097) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran
PubChem CID117186097
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran
SMILESCc1cccc2c(COc3ccc(Cl)cc3)coc12
InChIInChI=1S/C16H13ClO2/c1-11-3-2-4-15-12(10-19-16(11)15)9-18-14-7-5-13(17)6-8-14/h2-8,10H,9H2,1H3
InChIKeyALIQENFKFYWQIF-UHFFFAOYSA-N
XLogP4.97
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran (CID 117186097) is 3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran is Cc1cccc2c(COc3ccc(Cl)cc3)coc12.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran?
The InChIKey is ALIQENFKFYWQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2/c1-11-3-2-4-15-12(10-19-16(11)15)9-18-14-7-5-13(17)6-8-14/h2-8,10H,9H2,1H3.
What are the key properties of 3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran?
3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran has a molecular weight of 272.73 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran is sourced from PubChem (CID 117186097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).