6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran

C16H13ClO3 — CID 117179334

IUPAC6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
SMILESCOc1ccccc1OCc1cc2ccc(Cl)cc2o1
InChIInChI=1S/C16H13ClO3/c1-18-14-4-2-3-5-15(14)19-10-13-8-11-6-7-12(17)9-16(11)20-13/h2-9H,10H2,1H3
InChIKeyOCBKERASWIBETL-UHFFFAOYSA-N
MW288.73 g/mol
LogP4.67
Rot. Bonds4

About 6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran

6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran (PubChem CID 117179334) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is 6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran.

Molecular Properties

Compound Name6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
PubChem CID117179334
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
SMILESCOc1ccccc1OCc1cc2ccc(Cl)cc2o1
InChIInChI=1S/C16H13ClO3/c1-18-14-4-2-3-5-15(14)19-10-13-8-11-6-7-12(17)9-16(11)20-13/h2-9H,10H2,1H3
InChIKeyOCBKERASWIBETL-UHFFFAOYSA-N
XLogP4.67
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(phenoxymethyl)-1-benzofuran
CID 117179310
5-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
CID 117175918
6-chloro-2-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117179379
4-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
CID 117172297
[2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine
CID 117179218
[2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117182688
2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol
CID 117179375
2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-carboxylic acid
CID 117179456
N-(2,4-dichlorophenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 51781977
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanamine
CID 55077285
2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran
CID 117185820
2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole
CID 80609217

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran?
The IUPAC name of 6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran (CID 117179334) is 6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran.
What is the SMILES notation for 6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran?
The canonical SMILES for 6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran is COc1ccccc1OCc1cc2ccc(Cl)cc2o1.
What is the InChIKey of 6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran?
The InChIKey is OCBKERASWIBETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c1-18-14-4-2-3-5-15(14)19-10-13-8-11-6-7-12(17)9-16(11)20-13/h2-9H,10H2,1H3.
What are the key properties of 6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran?
6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran has a molecular weight of 288.73 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran is sourced from PubChem (CID 117179334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).