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

C10H9ClO2 — CID 117174343

IUPAC5-chloro-3-(methoxymethyl)-1-benzofuran
SMILESCOCc1coc2ccc(Cl)cc12
InChIInChI=1S/C10H9ClO2/c1-12-5-7-6-13-10-3-2-8(11)4-9(7)10/h2-4,6H,5H2,1H3
InChIKeyADZSJNKGTGPDIR-UHFFFAOYSA-N
MW196.63 g/mol
LogP3.23
Rot. Bonds2

About 5-chloro-3-(methoxymethyl)-1-benzofuran

5-chloro-3-(methoxymethyl)-1-benzofuran (PubChem CID 117174343) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is 5-chloro-3-(methoxymethyl)-1-benzofuran.

Molecular Properties

Compound Name5-chloro-3-(methoxymethyl)-1-benzofuran
PubChem CID117174343
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name5-chloro-3-(methoxymethyl)-1-benzofuran
SMILESCOCc1coc2ccc(Cl)cc12
InChIInChI=1S/C10H9ClO2/c1-12-5-7-6-13-10-3-2-8(11)4-9(7)10/h2-4,6H,5H2,1H3
InChIKeyADZSJNKGTGPDIR-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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Related Compounds

5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
CID 117174314
(5-chloro-1-benzofuran-3-yl)methanol
CID 3757833
5-chloro-3-(propan-2-ylsulfanylmethyl)-1-benzofuran
CID 117174348
3-but-2-ynyl-6-chlorochromen-4-one
CID 10847215
2-(5-chloro-1-benzofuran-3-yl)acetate
CID 9158984
N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine
CID 117174185
6-fluoro-3-(methoxymethyl)-1-benzofuran
CID 117177694
4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole
CID 141124827
4-chloro-3-(methoxymethyl)-1-benzofuran
CID 117170460
N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide
CID 110488755
2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 18860311
(4-chlorophenyl) 2-(5-methyl-1-benzofuran-3-yl)acetate
CID 18860472

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methoxymethyl)-1-benzofuran?
The IUPAC name of 5-chloro-3-(methoxymethyl)-1-benzofuran (CID 117174343) is 5-chloro-3-(methoxymethyl)-1-benzofuran.
What is the SMILES notation for 5-chloro-3-(methoxymethyl)-1-benzofuran?
The canonical SMILES for 5-chloro-3-(methoxymethyl)-1-benzofuran is COCc1coc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-(methoxymethyl)-1-benzofuran?
The InChIKey is ADZSJNKGTGPDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c1-12-5-7-6-13-10-3-2-8(11)4-9(7)10/h2-4,6H,5H2,1H3.
What are the key properties of 5-chloro-3-(methoxymethyl)-1-benzofuran?
5-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 5-chloro-3-(methoxymethyl)-1-benzofuran is sourced from PubChem (CID 117174343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).