6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran

C15H10Cl2O2 — CID 117179353

IUPAC6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran
SMILESClc1cccc(OCc2cc3ccc(Cl)cc3o2)c1
InChIInChI=1S/C15H10Cl2O2/c16-11-2-1-3-13(7-11)18-9-14-6-10-4-5-12(17)8-15(10)19-14/h1-8H,9H2
InChIKeyTWGZBCPGJYLDHE-UHFFFAOYSA-N
MW293.15 g/mol
LogP5.32
Rot. Bonds3

About 6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran

6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran (PubChem CID 117179353) has the molecular formula C15H10Cl2O2 and a molecular weight of 293.15 g/mol. Its IUPAC name is 6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran.

Molecular Properties

Compound Name6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran
PubChem CID117179353
Molecular FormulaC15H10Cl2O2
Molecular Weight293.15 g/mol
Exact Mass292.01
IUPAC Name6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran
SMILESClc1cccc(OCc2cc3ccc(Cl)cc3o2)c1
InChIInChI=1S/C15H10Cl2O2/c16-11-2-1-3-13(7-11)18-9-14-6-10-4-5-12(17)8-15(10)19-14/h1-8H,9H2
InChIKeyTWGZBCPGJYLDHE-UHFFFAOYSA-N
XLogP5.32
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.15
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(phenoxymethyl)-1-benzofuran
CID 117179310
6-chloro-2-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117179379
5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117175928
2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol
CID 117179375
6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
CID 117179334
3-[(5-chloro-1-benzofuran-2-yl)methoxy]pyridine
CID 117175979
2-[(3-chlorophenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79998838
3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine
CID 117179394
2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-N,N-dimethylpropan-1-amine
CID 170867232
2-(6-chloro-1-benzofuran-2-yl)acetic acid
CID 82612573
2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran
CID 117185820

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran?
The IUPAC name of 6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran (CID 117179353) is 6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran.
What is the SMILES notation for 6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran?
The canonical SMILES for 6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran is Clc1cccc(OCc2cc3ccc(Cl)cc3o2)c1.
What is the InChIKey of 6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran?
The InChIKey is TWGZBCPGJYLDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O2/c16-11-2-1-3-13(7-11)18-9-14-6-10-4-5-12(17)8-15(10)19-14/h1-8H,9H2.
What are the key properties of 6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran?
6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran has a molecular weight of 293.15 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran is sourced from PubChem (CID 117179353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).