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

C21H20O5 — CID 153350239

IUPAC2-[4-methoxy-2-[(7-prop-1-en-2-yl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid
SMILESC=C(C)c1cc(COc2cc(OC)ccc2CC(=O)O)cc2ccoc12
InChIInChI=1S/C21H20O5/c1-13(2)18-9-14(8-16-6-7-25-21(16)18)12-26-19-11-17(24-3)5-4-15(19)10-20(22)23/h4-9,11H,1,10,12H2,2-3H3,(H,22,23)
InChIKeyWZNUECCVYSBXQN-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.68
Rot. Bonds7

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

2-[4-methoxy-2-[(7-prop-1-en-2-yl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid (PubChem CID 153350239) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[4-methoxy-2-[(7-prop-1-en-2-yl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-methoxy-2-[(7-prop-1-en-2-yl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid
PubChem CID153350239
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Name2-[4-methoxy-2-[(7-prop-1-en-2-yl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid
SMILESC=C(C)c1cc(COc2cc(OC)ccc2CC(=O)O)cc2ccoc12
InChIInChI=1S/C21H20O5/c1-13(2)18-9-14(8-16-6-7-25-21(16)18)12-26-19-11-17(24-3)5-4-15(19)10-20(22)23/h4-9,11H,1,10,12H2,2-3H3,(H,22,23)
InChIKeyWZNUECCVYSBXQN-UHFFFAOYSA-N
XLogP4.68
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-ethoxy-2-[(7-methyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid
CID 153350706
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
ethane;2-[2-[(7-prop-1-en-2-yl-2-propyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid
CID 153350570
2-[4-acetyl-2-[[7-[3-(aminomethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560826
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441
tert-butyl 2-[2-[[7-(3-ethylphenyl)-1-benzofuran-5-yl]methoxy]-5-methoxyphenyl]acetate
CID 167622936
2-[2-[[7-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-2-(2-hydroxyethyl)-1-benzofuran-5-yl]methoxy]-4-methoxyphenyl]acetic acid
CID 153279624
ethyl 2-[2-[[7-[3-[1-(tert-butylsulfanylamino)-2-fluoroethyl]phenyl]-1-benzofuran-5-yl]methoxy]-4-methoxyphenyl]acetate
CID 156724650
2-[2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]-4,5-dimethylphenyl]acetic acid
CID 139560861
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
1-ethyl-4-methoxy-2-prop-1-en-2-ylbenzene
CID 70233927

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-[(7-prop-1-en-2-yl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-methoxy-2-[(7-prop-1-en-2-yl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid (CID 153350239) is 2-[4-methoxy-2-[(7-prop-1-en-2-yl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-methoxy-2-[(7-prop-1-en-2-yl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-methoxy-2-[(7-prop-1-en-2-yl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid is C=C(C)c1cc(COc2cc(OC)ccc2CC(=O)O)cc2ccoc12.
What is the InChIKey of 2-[4-methoxy-2-[(7-prop-1-en-2-yl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid?
The InChIKey is WZNUECCVYSBXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5/c1-13(2)18-9-14(8-16-6-7-25-21(16)18)12-26-19-11-17(24-3)5-4-15(19)10-20(22)23/h4-9,11H,1,10,12H2,2-3H3,(H,22,23).
What are the key properties of 2-[4-methoxy-2-[(7-prop-1-en-2-yl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid?
2-[4-methoxy-2-[(7-prop-1-en-2-yl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid has a molecular weight of 352.39 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-[(7-prop-1-en-2-yl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 153350239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).