2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid

C24H26O8 — CID 157262863

IUPAC2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid
SMILESCOc1cc2occc2cc1CCO.COc1cc2occc2cc1CCOCC(=O)O
InChIInChI=1S/C13H14O5.C11H12O3/c1-16-11-7-12-10(3-5-18-12)6-9(11)2-4-17-8-13(14)15;1-13-10-7-11-9(3-5-14-11)6-8(10)2-4-12/h3,5-7H,2,4,8H2,1H3,(H,14,15);3,5-7,12H,2,4H2,1H3
InChIKeyAXQXMEDPZPLGJK-UHFFFAOYSA-N
MW442.46 g/mol
LogP4.06
Rot. Bonds9

About 2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid

2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid (PubChem CID 157262863) has the molecular formula C24H26O8 and a molecular weight of 442.46 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid
PubChem CID157262863
Molecular FormulaC24H26O8
Molecular Weight442.46 g/mol
Exact Mass442.16
IUPAC Name2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid
SMILESCOc1cc2occc2cc1CCO.COc1cc2occc2cc1CCOCC(=O)O
InChIInChI=1S/C13H14O5.C11H12O3/c1-16-11-7-12-10(3-5-18-12)6-9(11)2-4-17-8-13(14)15;1-13-10-7-11-9(3-5-14-11)6-8(10)2-4-12/h3,5-7H,2,4,8H2,1H3,(H,14,15);3,5-7,12H,2,4H2,1H3
InChIKeyAXQXMEDPZPLGJK-UHFFFAOYSA-N
XLogP4.06
TPSA111.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride
CID 135381759
2-[2-ethoxy-4-[6-[2-(6-methoxy-1-benzofuran-5-yl)ethylamino]pyrimidin-4-yl]phenoxy]acetic acid
CID 152538367
bis[1-[2-[2-(5-methoxy-1-benzofuran-6-yl)ethoxy]ethyl]pyrrolidin-3-yl] oxalate
CID 66588437
(E)-3-(5-methoxy-1-benzofuran-6-yl)prop-2-enoic acid
CID 56964356
3-hydroxy-1-(6-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
CID 71424935
methyl 3-(2-hydroxyethyl)-4-methoxybenzoate
CID 10608505
2-bromo-1-[2-hydroxy-5-(2-hydroxyethyl)-4-methoxyphenyl]ethanone;1-[2-hydroxy-5-(2-hydroxyethyl)-4-methoxyphenyl]ethanone
CID 160727105
5-[2-[2-(3-aminocyclopentyl)ethoxy]ethyl]-1-benzofuran-6-ol
CID 149297079
5-ethyl-6-methyl-1-benzofuran
CID 143804380
2-(2-methoxy-4-phenylphenyl)acetic acid
CID 23503476
2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid
CID 89482793
2-[2-[(4-bromo-2-methoxybenzoyl)amino]ethoxy]acetic acid
CID 113295972

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid?
The IUPAC name of 2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid (CID 157262863) is 2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid is COc1cc2occc2cc1CCO.COc1cc2occc2cc1CCOCC(=O)O.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid?
The InChIKey is AXQXMEDPZPLGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O5.C11H12O3/c1-16-11-7-12-10(3-5-18-12)6-9(11)2-4-17-8-13(14)15;1-13-10-7-11-9(3-5-14-11)6-8(10)2-4-12/h3,5-7H,2,4,8H2,1H3,(H,14,15);3,5-7,12H,2,4H2,1H3.
What are the key properties of 2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid?
2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid has a molecular weight of 442.46 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid is sourced from PubChem (CID 157262863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).