2-[4-ethoxy-2-[(7-methyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid

C20H20O5 — CID 153350706

IUPAC2-[4-ethoxy-2-[(7-methyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid
SMILESCCOc1ccc(CC(=O)O)c(OCc2cc(C)c3occc3c2)c1
InChIInChI=1S/C20H20O5/c1-3-23-17-5-4-15(10-19(21)22)18(11-17)25-12-14-8-13(2)20-16(9-14)6-7-24-20/h4-9,11H,3,10,12H2,1-2H3,(H,21,22)
InChIKeyVAJYYLMEMKOROR-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.35
Rot. Bonds7

About 2-[4-ethoxy-2-[(7-methyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid

2-[4-ethoxy-2-[(7-methyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid (PubChem CID 153350706) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[4-ethoxy-2-[(7-methyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-ethoxy-2-[(7-methyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid
PubChem CID153350706
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name2-[4-ethoxy-2-[(7-methyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid
SMILESCCOc1ccc(CC(=O)O)c(OCc2cc(C)c3occc3c2)c1
InChIInChI=1S/C20H20O5/c1-3-23-17-5-4-15(10-19(21)22)18(11-17)25-12-14-8-13(2)20-16(9-14)6-7-24-20/h4-9,11H,3,10,12H2,1-2H3,(H,21,22)
InChIKeyVAJYYLMEMKOROR-UHFFFAOYSA-N
XLogP4.35
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxy-2-[(7-prop-1-en-2-yl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid
CID 153350239
2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid
CID 175256545
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid
CID 139561102
2-[2-[[7-[3-[(1S)-1-amino-2-fluoroethyl]phenyl]-1-benzofuran-5-yl]methoxy]-4-methoxyphenyl]acetic acid
CID 176877310
2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-(methanesulfonamidomethyl)phenyl]acetic acid
CID 175256538
2-[2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]-4,5-dimethylphenyl]acetic acid
CID 139560861
ethane;ethyl 2-(7-phenylmethoxy-1-benzofuran-5-yl)acetate
CID 91324608
2-[4-acetyl-2-[[7-[3-(aminomethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560826
ethyl 2-[2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate
CID 139560842
ethyl 2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-3,4-dimethylphenyl]acetate
CID 139560173
ethyl 2-[2-[[7-(2-ethylphenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 157458873

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethoxy-2-[(7-methyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-ethoxy-2-[(7-methyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid (CID 153350706) is 2-[4-ethoxy-2-[(7-methyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-ethoxy-2-[(7-methyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-ethoxy-2-[(7-methyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid is CCOc1ccc(CC(=O)O)c(OCc2cc(C)c3occc3c2)c1.
What is the InChIKey of 2-[4-ethoxy-2-[(7-methyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid?
The InChIKey is VAJYYLMEMKOROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-3-23-17-5-4-15(10-19(21)22)18(11-17)25-12-14-8-13(2)20-16(9-14)6-7-24-20/h4-9,11H,3,10,12H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-ethoxy-2-[(7-methyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid?
2-[4-ethoxy-2-[(7-methyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid has a molecular weight of 340.38 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethoxy-2-[(7-methyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 153350706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).