(4-bromophenyl)-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone

C18H15BrO4 — CID 10022321

IUPAC(4-bromophenyl)-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1cc(OC)c2c(C)c(C(=O)c3ccc(Br)cc3)oc2c1
InChIInChI=1S/C18H15BrO4/c1-10-16-14(22-3)8-13(21-2)9-15(16)23-18(10)17(20)11-4-6-12(19)7-5-11/h4-9H,1-3H3
InChIKeyLTDQGCFMTVHZKP-UHFFFAOYSA-N
MW375.22 g/mol
LogP4.75
Rot. Bonds4

About (4-bromophenyl)-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone

(4-bromophenyl)-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 10022321) has the molecular formula C18H15BrO4 and a molecular weight of 375.22 g/mol. Its IUPAC name is (4-bromophenyl)-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID10022321
Molecular FormulaC18H15BrO4
Molecular Weight375.22 g/mol
Exact Mass374.02
IUPAC Name(4-bromophenyl)-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1cc(OC)c2c(C)c(C(=O)c3ccc(Br)cc3)oc2c1
InChIInChI=1S/C18H15BrO4/c1-10-16-14(22-3)8-13(21-2)9-15(16)23-18(10)17(20)11-4-6-12(19)7-5-11/h4-9H,1-3H3
InChIKeyLTDQGCFMTVHZKP-UHFFFAOYSA-N
XLogP4.75
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-bromophenyl)-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone (CID 10022321) is (4-bromophenyl)-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone is COc1cc(OC)c2c(C)c(C(=O)c3ccc(Br)cc3)oc2c1.
What is the InChIKey of (4-bromophenyl)-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is LTDQGCFMTVHZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO4/c1-10-16-14(22-3)8-13(21-2)9-15(16)23-18(10)17(20)11-4-6-12(19)7-5-11/h4-9H,1-3H3.
What are the key properties of (4-bromophenyl)-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone?
(4-bromophenyl)-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 375.22 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 10022321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).