2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol

C16H14BrFO2 — CID 79702274

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H14BrFO2/c17-13-5-10(6-14(18)9-13)7-15(19)11-1-2-16-12(8-11)3-4-20-16/h1-2,5-6,8-9,15,19H,3-4,7H2
InChIKeyQJAJVAIQUIVDFU-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.80
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol

2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol (PubChem CID 79702274) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
PubChem CID79702274
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H14BrFO2/c17-13-5-10(6-14(18)9-13)7-15(19)11-1-2-16-12(8-11)3-4-20-16/h1-2,5-6,8-9,15,19H,3-4,7H2
InChIKeyQJAJVAIQUIVDFU-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-Dihydro-1-benzofuran-5-yl)methanol
CID 2776158
Thelepin
CID 635290
1-[4-(4-Bromophenoxy)phenyl]ethan-1-ol
CID 43506431
(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 20163670
(S)-(2-(Prop-1-en-2-yl)-2,3-dihydrobenzofuran-5-yl)methanol
CID 182377
1-(2,3-Dihydro-1-benzofuran-5-yl)ethan-1-ol
CID 43753529
7-Bromo-5-methyl-2,3-dihydro-1-benzofuran-3-ol
CID 65719557
(7-Bromo-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 66545161
[4-(3-Bromobenzyloxy)phenyl](cyclopropyl)methanol
CID 50906468
(2S,3S)-5-bromo-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran
CID 71568462
4-[(2S,3S)-5-bromo-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 71568463
[(2S,3R)-5-bromo-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methyl acetate
CID 162666222

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol (CID 79702274) is 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol is OC(Cc1cc(F)cc(Br)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
The InChIKey is QJAJVAIQUIVDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c17-13-5-10(6-14(18)9-13)7-15(19)11-1-2-16-12(8-11)3-4-20-16/h1-2,5-6,8-9,15,19H,3-4,7H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol has a molecular weight of 337.19 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol is sourced from PubChem (CID 79702274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).