2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol

C17H18O3 — CID 61100079

IUPAC2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol
SMILESCCOc1ccccc1C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H18O3/c1-2-19-16-6-4-3-5-14(16)17(18)13-7-8-15-12(11-13)9-10-20-15/h3-8,11,17-18H,2,9-10H2,1H3
InChIKeyDBRASRSLWJTTRL-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.10
Rot. Bonds4

About 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol

2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol (PubChem CID 61100079) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol
PubChem CID61100079
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol
SMILESCCOc1ccccc1C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H18O3/c1-2-19-16-6-4-3-5-14(16)17(18)13-7-8-15-12(11-13)9-10-20-15/h3-8,11,17-18H,2,9-10H2,1H3
InChIKeyDBRASRSLWJTTRL-UHFFFAOYSA-N
XLogP3.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61097281
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-ethoxyphenyl)methanol
CID 104542962
2,3-dihydro-1-benzofuran-5-yl-(2,4-dimethoxyphenyl)methanol
CID 61099921
5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63442832
2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 105125287
5-[bromo-(3-bromo-4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104661813
3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol
CID 61080777
2,3-dihydro-1-benzofuran-5-yl-[4-(methoxymethyl)phenyl]methanol
CID 104542108
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 103454434
(3,4-diethylphenyl)-(2-ethoxyphenyl)methanol
CID 115482646
2,3-dihydro-1-benzofuran-5-yl-(3-propylphenyl)methanol
CID 116542515
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 90558062

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol (CID 61100079) is 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol is CCOc1ccccc1C(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol?
The InChIKey is DBRASRSLWJTTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-19-16-6-4-3-5-14(16)17(18)13-7-8-15-12(11-13)9-10-20-15/h3-8,11,17-18H,2,9-10H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol?
2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol has a molecular weight of 270.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol is sourced from PubChem (CID 61100079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).