methyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate

C18H15BrO4 — CID 71056255

IUPACmethyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2cc3cc(OC)c(Br)cc3o2)cc1
InChIInChI=1S/C18H15BrO4/c1-21-17-9-13-8-15(23-16(13)10-14(17)19)12-5-3-11(4-6-12)7-18(20)22-2/h3-6,8-10H,7H2,1-2H3
InChIKeyFUTLHWPTVHYHFO-UHFFFAOYSA-N
MW375.22 g/mol
LogP4.59
Rot. Bonds4

About methyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate

methyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate (PubChem CID 71056255) has the molecular formula C18H15BrO4 and a molecular weight of 375.22 g/mol. Its IUPAC name is methyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate
PubChem CID71056255
Molecular FormulaC18H15BrO4
Molecular Weight375.22 g/mol
Exact Mass374.02
IUPAC Namemethyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2cc3cc(OC)c(Br)cc3o2)cc1
InChIInChI=1S/C18H15BrO4/c1-21-17-9-13-8-15(23-16(13)10-14(17)19)12-5-3-11(4-6-12)7-18(20)22-2/h3-6,8-10H,7H2,1-2H3
InChIKeyFUTLHWPTVHYHFO-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-bromo-1-benzofuran-5-yl)acetate
CID 71247269
7-bromo-6-methoxy-2-oxochromene-3-carboxylic acid
CID 166609230
methyl 2-[4-(furan-2-yl)phenyl]acetate
CID 168524506
methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate
CID 59654703
methyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate
CID 71246886
2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol
CID 24946507
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide
CID 24947773
methyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate
CID 23083078
methyl 2-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]acetate
CID 55400234
1-(bromomethyl)-4-methylbenzene;methyl 2-(4-methylphenyl)acetate
CID 158061256

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate (CID 71056255) is methyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate is COC(=O)Cc1ccc(-c2cc3cc(OC)c(Br)cc3o2)cc1.
What is the InChIKey of methyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate?
The InChIKey is FUTLHWPTVHYHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO4/c1-21-17-9-13-8-15(23-16(13)10-14(17)19)12-5-3-11(4-6-12)7-18(20)22-2/h3-6,8-10H,7H2,1-2H3.
What are the key properties of methyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate?
methyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate has a molecular weight of 375.22 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate is sourced from PubChem (CID 71056255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).