2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol

C11H13BrO3 — CID 117434905

IUPAC2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol
SMILESCOc1cc(CCO)c(Br)c2c1OCC2
InChIInChI=1S/C11H13BrO3/c1-14-9-6-7(2-4-13)10(12)8-3-5-15-11(8)9/h6,13H,2-5H2,1H3
InChIKeyVHAPKBODIFJCSM-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.93
Rot. Bonds3

About 2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol

2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol (PubChem CID 117434905) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol
PubChem CID117434905
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol
SMILESCOc1cc(CCO)c(Br)c2c1OCC2
InChIInChI=1S/C11H13BrO3/c1-14-9-6-7(2-4-13)10(12)8-3-5-15-11(8)9/h6,13H,2-5H2,1H3
InChIKeyVHAPKBODIFJCSM-UHFFFAOYSA-N
XLogP1.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 117461046
3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propanal
CID 117458946
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 117358684
(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 117305849
2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 117484849
1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117358761
2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol
CID 142077480
4-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 117429741
3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)pyrrolidine
CID 117480079
2-(4-bromo-2-methoxyphenyl)ethanol
CID 66580015
3,25-dibromo-4,24-bis(bromomethyl)-6,22-dimethoxy-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(25),2,4,6,21,23-hexaene
CID 11994060
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol
CID 117447344

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol?
The IUPAC name of 2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol (CID 117434905) is 2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol?
The canonical SMILES for 2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol is COc1cc(CCO)c(Br)c2c1OCC2.
What is the InChIKey of 2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol?
The InChIKey is VHAPKBODIFJCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-14-9-6-7(2-4-13)10(12)8-3-5-15-11(8)9/h6,13H,2-5H2,1H3.
What are the key properties of 2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol?
2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol has a molecular weight of 273.13 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol is sourced from PubChem (CID 117434905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).