4-[2-[2-(1-benzofuran-2-yl)-2-hydroxyethoxy]phenyl]butan-1-ol

C20H22O4 — CID 19925662

IUPAC4-[2-[2-(1-benzofuran-2-yl)-2-hydroxyethoxy]phenyl]butan-1-ol
SMILESOCCCCc1ccccc1OCC(O)c1cc2ccccc2o1
InChIInChI=1S/C20H22O4/c21-12-6-5-8-15-7-1-3-10-18(15)23-14-17(22)20-13-16-9-2-4-11-19(16)24-20/h1-4,7,9-11,13,17,21-22H,5-6,8,12,14H2
InChIKeyRCELWZLWYJGBDW-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.86
Rot. Bonds8

About 4-[2-[2-(1-benzofuran-2-yl)-2-hydroxyethoxy]phenyl]butan-1-ol

4-[2-[2-(1-benzofuran-2-yl)-2-hydroxyethoxy]phenyl]butan-1-ol (PubChem CID 19925662) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 4-[2-[2-(1-benzofuran-2-yl)-2-hydroxyethoxy]phenyl]butan-1-ol.

Molecular Properties

Compound Name4-[2-[2-(1-benzofuran-2-yl)-2-hydroxyethoxy]phenyl]butan-1-ol
PubChem CID19925662
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name4-[2-[2-(1-benzofuran-2-yl)-2-hydroxyethoxy]phenyl]butan-1-ol
SMILESOCCCCc1ccccc1OCC(O)c1cc2ccccc2o1
InChIInChI=1S/C20H22O4/c21-12-6-5-8-15-7-1-3-10-18(15)23-14-17(22)20-13-16-9-2-4-11-19(16)24-20/h1-4,7,9-11,13,17,21-22H,5-6,8,12,14H2
InChIKeyRCELWZLWYJGBDW-UHFFFAOYSA-N
XLogP3.86
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol
CID 97232707
7-[4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]phenyl]heptan-1-ol
CID 19925698
1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol
CID 103404430
7-[2-(methoxymethoxy)phenyl]heptan-1-ol
CID 15737185
1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 65447175
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol
CID 65477865
1-(1-benzofuran-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
CID 115942479
1-(dimethylamino)-3-[2-(4-naphthalen-2-ylbutyl)phenoxy]propan-2-ol;hydrochloride
CID 19423958
1-(2-octylphenoxy)propan-2-ol
CID 142740915

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(1-benzofuran-2-yl)-2-hydroxyethoxy]phenyl]butan-1-ol?
The IUPAC name of 4-[2-[2-(1-benzofuran-2-yl)-2-hydroxyethoxy]phenyl]butan-1-ol (CID 19925662) is 4-[2-[2-(1-benzofuran-2-yl)-2-hydroxyethoxy]phenyl]butan-1-ol.
What is the SMILES notation for 4-[2-[2-(1-benzofuran-2-yl)-2-hydroxyethoxy]phenyl]butan-1-ol?
The canonical SMILES for 4-[2-[2-(1-benzofuran-2-yl)-2-hydroxyethoxy]phenyl]butan-1-ol is OCCCCc1ccccc1OCC(O)c1cc2ccccc2o1.
What is the InChIKey of 4-[2-[2-(1-benzofuran-2-yl)-2-hydroxyethoxy]phenyl]butan-1-ol?
The InChIKey is RCELWZLWYJGBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c21-12-6-5-8-15-7-1-3-10-18(15)23-14-17(22)20-13-16-9-2-4-11-19(16)24-20/h1-4,7,9-11,13,17,21-22H,5-6,8,12,14H2.
What are the key properties of 4-[2-[2-(1-benzofuran-2-yl)-2-hydroxyethoxy]phenyl]butan-1-ol?
4-[2-[2-(1-benzofuran-2-yl)-2-hydroxyethoxy]phenyl]butan-1-ol has a molecular weight of 326.39 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(1-benzofuran-2-yl)-2-hydroxyethoxy]phenyl]butan-1-ol is sourced from PubChem (CID 19925662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).