2-[7-(hydroxymethyl)-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol

C22H26O4 — CID 59127477

IUPAC2-[7-(hydroxymethyl)-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol
SMILESCC(C)Cc1cc2c(CCO)coc2c(CO)c1OCc1ccccc1
InChIInChI=1S/C22H26O4/c1-15(2)10-18-11-19-17(8-9-23)14-26-22(19)20(12-24)21(18)25-13-16-6-4-3-5-7-16/h3-7,11,14-15,23-24H,8-10,12-13H2,1-2H3
InChIKeyJZFXPTIAVNQTBO-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.24
Rot. Bonds8

About 2-[7-(hydroxymethyl)-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol

2-[7-(hydroxymethyl)-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol (PubChem CID 59127477) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[7-(hydroxymethyl)-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol.

Molecular Properties

Compound Name2-[7-(hydroxymethyl)-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol
PubChem CID59127477
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name2-[7-(hydroxymethyl)-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol
SMILESCC(C)Cc1cc2c(CCO)coc2c(CO)c1OCc1ccccc1
InChIInChI=1S/C22H26O4/c1-15(2)10-18-11-19-17(8-9-23)14-26-22(19)20(12-24)21(18)25-13-16-6-4-3-5-7-16/h3-7,11,14-15,23-24H,8-10,12-13H2,1-2H3
InChIKeyJZFXPTIAVNQTBO-UHFFFAOYSA-N
XLogP4.24
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol
CID 59127437
2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid
CID 18705334
methyl 2-[7-(hydroxymethyl)-5-(2-methylpropyl)-6-(3-phenylprop-2-enoxy)-1-benzofuran-3-yl]pentanoate
CID 72524231
1,3-dibromo-5-(2-methylpropyl)-2-phenylmethoxybenzene
CID 164892875
2-(2-methyl-6-phenylmethoxy-3-pyridinyl)ethanol
CID 102546176
4-[[3-(2-methylpropyl)-2-phenylmethoxyphenyl]methoxy]-1,2-di(propan-2-yl)pyrazolidine
CID 139707211
methyl 2-[5-(2-methylpropyl)-6-[(E)-3-phenylprop-2-enoxy]-7-[[(E)-3-phenylprop-2-enoxy]methyl]-1-benzofuran-3-yl]pentanoate
CID 59127459
2,2-dimethyl-6-(2-methylpropyl)-5-phenylmethoxy-1,3-benzodioxin-4-one
CID 59127502
[4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol
CID 820399
2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol
CID 18515724
2-(7-bromo-1-benzofuran-3-yl)ethanol
CID 83526831
[2-(hydroxymethyl)-3-phenylmethoxyphenyl]methanol
CID 54499676

Frequently Asked Questions

What is the IUPAC name of 2-[7-(hydroxymethyl)-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol?
The IUPAC name of 2-[7-(hydroxymethyl)-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol (CID 59127477) is 2-[7-(hydroxymethyl)-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol.
What is the SMILES notation for 2-[7-(hydroxymethyl)-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol?
The canonical SMILES for 2-[7-(hydroxymethyl)-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol is CC(C)Cc1cc2c(CCO)coc2c(CO)c1OCc1ccccc1.
What is the InChIKey of 2-[7-(hydroxymethyl)-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol?
The InChIKey is JZFXPTIAVNQTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4/c1-15(2)10-18-11-19-17(8-9-23)14-26-22(19)20(12-24)21(18)25-13-16-6-4-3-5-7-16/h3-7,11,14-15,23-24H,8-10,12-13H2,1-2H3.
What are the key properties of 2-[7-(hydroxymethyl)-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol?
2-[7-(hydroxymethyl)-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol has a molecular weight of 354.45 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(hydroxymethyl)-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol is sourced from PubChem (CID 59127477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).