2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid

C17H12BrFO4 — CID 175256545

IUPAC2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid
SMILESO=C(O)Cc1ccc(F)cc1OCc1cc(Br)c2occc2c1
InChIInChI=1S/C17H12BrFO4/c18-14-6-10(5-12-3-4-22-17(12)14)9-23-15-8-13(19)2-1-11(15)7-16(20)21/h1-6,8H,7,9H2,(H,20,21)
InChIKeyBJXVNCAXOBATEE-UHFFFAOYSA-N
MW379.18 g/mol
LogP4.54
Rot. Bonds5

About 2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid

2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid (PubChem CID 175256545) has the molecular formula C17H12BrFO4 and a molecular weight of 379.18 g/mol. Its IUPAC name is 2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid
PubChem CID175256545
Molecular FormulaC17H12BrFO4
Molecular Weight379.18 g/mol
Exact Mass377.99
IUPAC Name2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid
SMILESO=C(O)Cc1ccc(F)cc1OCc1cc(Br)c2occc2c1
InChIInChI=1S/C17H12BrFO4/c18-14-6-10(5-12-3-4-22-17(12)14)9-23-15-8-13(19)2-1-11(15)7-16(20)21/h1-6,8H,7,9H2,(H,20,21)
InChIKeyBJXVNCAXOBATEE-UHFFFAOYSA-N
XLogP4.54
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.18
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-(methanesulfonamidomethyl)phenyl]acetic acid
CID 175256538
2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-fluorobenzaldehyde
CID 139560643
2-[4-ethoxy-2-[(7-methyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid
CID 153350706
2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-5-fluorophenyl]acetic acid
CID 139560417
2-[4-acetyl-2-[[7-[3-(aminomethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560826
2-[2-[[7-[3-(aminomethyl)-2,4-difluorophenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139561208
2-[4-methoxy-2-[(7-prop-1-en-2-yl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid
CID 153350239
2-[2-[[7-[3-[(2S)-2-amino-2-fluoroethyl]-2-fluorophenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560751
CID 165080004
CID 165080004
2-[2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]-4,5-dimethylphenyl]acetic acid
CID 139560861
ethyl 2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-3,4-dimethylphenyl]acetate
CID 139560173
2-[2-[[7-[3-(1-amino-2-hydroxyethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560250

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid?
The IUPAC name of 2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid (CID 175256545) is 2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid?
The canonical SMILES for 2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid is O=C(O)Cc1ccc(F)cc1OCc1cc(Br)c2occc2c1.
What is the InChIKey of 2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid?
The InChIKey is BJXVNCAXOBATEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFO4/c18-14-6-10(5-12-3-4-22-17(12)14)9-23-15-8-13(19)2-1-11(15)7-16(20)21/h1-6,8H,7,9H2,(H,20,21).
What are the key properties of 2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid?
2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid has a molecular weight of 379.18 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid is sourced from PubChem (CID 175256545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).