1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol

C16H13BrO2 — CID 63017494

IUPAC1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol
SMILESOC(Cc1ccc(Br)cc1)c1cc2ccccc2o1
InChIInChI=1S/C16H13BrO2/c17-13-7-5-11(6-8-13)9-14(18)16-10-12-3-1-2-4-15(12)19-16/h1-8,10,14,18H,9H2
InChIKeyVJZGSBQXUIPXLF-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.47
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol

1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol (PubChem CID 63017494) has the molecular formula C16H13BrO2 and a molecular weight of 317.18 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol
PubChem CID63017494
Molecular FormulaC16H13BrO2
Molecular Weight317.18 g/mol
Exact Mass316.01
IUPAC Name1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol
SMILESOC(Cc1ccc(Br)cc1)c1cc2ccccc2o1
InChIInChI=1S/C16H13BrO2/c17-13-7-5-11(6-8-13)9-14(18)16-10-12-3-1-2-4-15(12)19-16/h1-8,10,14,18H,9H2
InChIKeyVJZGSBQXUIPXLF-UHFFFAOYSA-N
XLogP4.47
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol
CID 65477865
1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038983
1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79740534
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-bromofuran-2-carboxamide
CID 97414288
1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
CID 64566757
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 65447175
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
[1-(1-benzofuran-2-yl)-2-phenylethyl]hydrazine
CID 105195415
2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran
CID 63542413

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol (CID 63017494) is 1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol is OC(Cc1ccc(Br)cc1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol?
The InChIKey is VJZGSBQXUIPXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO2/c17-13-7-5-11(6-8-13)9-14(18)16-10-12-3-1-2-4-15(12)19-16/h1-8,10,14,18H,9H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol?
1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol has a molecular weight of 317.18 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol is sourced from PubChem (CID 63017494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).