[5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol

C16H15BrO3 — CID 66364175

IUPAC[5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol
SMILESOCc1cc(Br)ccc1OCC1Cc2ccccc2O1
InChIInChI=1S/C16H15BrO3/c17-13-5-6-15(12(7-13)9-18)19-10-14-8-11-3-1-2-4-16(11)20-14/h1-7,14,18H,8-10H2
InChIKeyGICXEIQVUYIPKE-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.32
Rot. Bonds4

About [5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol

[5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol (PubChem CID 66364175) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is [5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol
PubChem CID66364175
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name[5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol
SMILESOCc1cc(Br)ccc1OCC1Cc2ccccc2O1
InChIInChI=1S/C16H15BrO3/c17-13-5-6-15(12(7-13)9-18)19-10-14-8-11-3-1-2-4-16(11)20-14/h1-7,14,18H,8-10H2
InChIKeyGICXEIQVUYIPKE-UHFFFAOYSA-N
XLogP3.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine
CID 66348957
5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzoic acid
CID 66364945
[3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol
CID 66364960
[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]methanol
CID 66364718
2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile
CID 66365332
2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 81332587
2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline
CID 66348762
[4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine
CID 114322334
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline
CID 66348760
[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 86326706
2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360807
2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran
CID 115956547

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol?
The IUPAC name of [5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol (CID 66364175) is [5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol?
The canonical SMILES for [5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol is OCc1cc(Br)ccc1OCC1Cc2ccccc2O1.
What is the InChIKey of [5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol?
The InChIKey is GICXEIQVUYIPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c17-13-5-6-15(12(7-13)9-18)19-10-14-8-11-3-1-2-4-16(11)20-14/h1-7,14,18H,8-10H2.
What are the key properties of [5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol?
[5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol has a molecular weight of 335.20 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 66364175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).