7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran

C16H13BrO2 — CID 117182771

IUPAC7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran
SMILESCc1ccccc1OCc1cc2cccc(Br)c2o1
InChIInChI=1S/C16H13BrO2/c1-11-5-2-3-8-15(11)18-10-13-9-12-6-4-7-14(17)16(12)19-13/h2-9H,10H2,1H3
InChIKeyZVVPKFLQXZTFSV-UHFFFAOYSA-N
MW317.18 g/mol
LogP5.08
Rot. Bonds3

About 7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran

7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran (PubChem CID 117182771) has the molecular formula C16H13BrO2 and a molecular weight of 317.18 g/mol. Its IUPAC name is 7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran.

Molecular Properties

Compound Name7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran
PubChem CID117182771
Molecular FormulaC16H13BrO2
Molecular Weight317.18 g/mol
Exact Mass316.01
IUPAC Name7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran
SMILESCc1ccccc1OCc1cc2cccc(Br)c2o1
InChIInChI=1S/C16H13BrO2/c1-11-5-2-3-8-15(11)18-10-13-9-12-6-4-7-14(17)16(12)19-13/h2-9H,10H2,1H3
InChIKeyZVVPKFLQXZTFSV-UHFFFAOYSA-N
XLogP5.08
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.18
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117185801
4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117184698
7-bromo-2-[(2-methylphenoxy)methyl]-1H-indole
CID 117183604
2-(methoxymethyl)-7-methyl-1-benzofuran
CID 117186379
(7-bromo-1-benzofuran-2-yl)methanamine
CID 61389824
7-bromo-2-(chloromethyl)-1-benzofuran
CID 103027295
7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117186365
[2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117182688
2-[(4-bromophenoxy)methyl]-1-benzofuran-7-ol
CID 117182831
N-methyl-1-[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methanamine
CID 62452733
1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 62451768
2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol
CID 117182822

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran?
The IUPAC name of 7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran (CID 117182771) is 7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran.
What is the SMILES notation for 7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran?
The canonical SMILES for 7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran is Cc1ccccc1OCc1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran?
The InChIKey is ZVVPKFLQXZTFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO2/c1-11-5-2-3-8-15(11)18-10-13-9-12-6-4-7-14(17)16(12)19-13/h2-9H,10H2,1H3.
What are the key properties of 7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran?
7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran has a molecular weight of 317.18 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran is sourced from PubChem (CID 117182771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).