(3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol

C16H17BrO4 — CID 63942614

IUPAC(3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
SMILESCCOc1cc2c(cc1C(O)c1occc1Br)OC(C)C2
InChIInChI=1S/C16H17BrO4/c1-3-19-14-7-10-6-9(2)21-13(10)8-11(14)15(18)16-12(17)4-5-20-16/h4-5,7-9,15,18H,3,6H2,1-2H3
InChIKeyUTMZAJZMODCHNC-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.85
Rot. Bonds4

About (3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol

(3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol (PubChem CID 63942614) has the molecular formula C16H17BrO4 and a molecular weight of 353.21 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
PubChem CID63942614
Molecular FormulaC16H17BrO4
Molecular Weight353.21 g/mol
Exact Mass352.03
IUPAC Name(3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
SMILESCCOc1cc2c(cc1C(O)c1occc1Br)OC(C)C2
InChIInChI=1S/C16H17BrO4/c1-3-19-14-7-10-6-9(2)21-13(10)8-11(14)15(18)16-12(17)4-5-20-16/h4-5,7-9,15,18H,3,6H2,1-2H3
InChIKeyUTMZAJZMODCHNC-UHFFFAOYSA-N
XLogP3.85
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol with MolForge

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Related Compounds

2-amino-1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanol
CID 43209051
(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-hydroxymethanesulfonic acid
CID 103574423
1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol
CID 65150817
cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 63893850
(3-bromofuran-2-yl)-(2-ethoxyphenyl)methanol
CID 63941239
2-amino-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 24695376
2-cyclopentyl-1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanol
CID 65150918
1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol
CID 62775282
(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
CID 7874317
ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate
CID 60788248
2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(ethylamino)acetonitrile
CID 43115106
2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-formamidoacetic acid
CID 63689683

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol (CID 63942614) is (3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol is CCOc1cc2c(cc1C(O)c1occc1Br)OC(C)C2.
What is the InChIKey of (3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol?
The InChIKey is UTMZAJZMODCHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO4/c1-3-19-14-7-10-6-9(2)21-13(10)8-11(14)15(18)16-12(17)4-5-20-16/h4-5,7-9,15,18H,3,6H2,1-2H3.
What are the key properties of (3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol?
(3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol has a molecular weight of 353.21 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol is sourced from PubChem (CID 63942614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).