4-chloro-3-(methoxymethyl)-1-benzofuran

C10H9ClO2 — CID 117170460

IUPAC4-chloro-3-(methoxymethyl)-1-benzofuran
SMILESCOCc1coc2cccc(Cl)c12
InChIInChI=1S/C10H9ClO2/c1-12-5-7-6-13-9-4-2-3-8(11)10(7)9/h2-4,6H,5H2,1H3
InChIKeyIEVNSDNGKIASCR-UHFFFAOYSA-N
MW196.63 g/mol
LogP3.23
Rot. Bonds2

About 4-chloro-3-(methoxymethyl)-1-benzofuran

4-chloro-3-(methoxymethyl)-1-benzofuran (PubChem CID 117170460) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is 4-chloro-3-(methoxymethyl)-1-benzofuran.

Molecular Properties

Compound Name4-chloro-3-(methoxymethyl)-1-benzofuran
PubChem CID117170460
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name4-chloro-3-(methoxymethyl)-1-benzofuran
SMILESCOCc1coc2cccc(Cl)c12
InChIInChI=1S/C10H9ClO2/c1-12-5-7-6-13-9-4-2-3-8(11)10(7)9/h2-4,6H,5H2,1H3
InChIKeyIEVNSDNGKIASCR-UHFFFAOYSA-N
XLogP3.23
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(methoxymethyl)-1-benzofuran?
The IUPAC name of 4-chloro-3-(methoxymethyl)-1-benzofuran (CID 117170460) is 4-chloro-3-(methoxymethyl)-1-benzofuran.
What is the SMILES notation for 4-chloro-3-(methoxymethyl)-1-benzofuran?
The canonical SMILES for 4-chloro-3-(methoxymethyl)-1-benzofuran is COCc1coc2cccc(Cl)c12.
What is the InChIKey of 4-chloro-3-(methoxymethyl)-1-benzofuran?
The InChIKey is IEVNSDNGKIASCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c1-12-5-7-6-13-9-4-2-3-8(11)10(7)9/h2-4,6H,5H2,1H3.
What are the key properties of 4-chloro-3-(methoxymethyl)-1-benzofuran?
4-chloro-3-(methoxymethyl)-1-benzofuran has a molecular weight of 196.63 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(methoxymethyl)-1-benzofuran is sourced from PubChem (CID 117170460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).