1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol

C13H12BrClO3 — CID 106886215

IUPAC1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)c1occc1Br
InChIInChI=1S/C13H12BrClO3/c1-17-12-3-2-9(15)6-8(12)7-11(16)13-10(14)4-5-18-13/h2-6,11,16H,7H2,1H3
InChIKeyVDUUKCJXRJZOCL-UHFFFAOYSA-N
MW331.59 g/mol
LogP3.98
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol

1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol (PubChem CID 106886215) has the molecular formula C13H12BrClO3 and a molecular weight of 331.59 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol
PubChem CID106886215
Molecular FormulaC13H12BrClO3
Molecular Weight331.59 g/mol
Exact Mass329.97
IUPAC Name1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)c1occc1Br
InChIInChI=1S/C13H12BrClO3/c1-17-12-3-2-9(15)6-8(12)7-11(16)13-10(14)4-5-18-13/h2-6,11,16H,7H2,1H3
InChIKeyVDUUKCJXRJZOCL-UHFFFAOYSA-N
XLogP3.98
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.59
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 106886367
1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 114330012
1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788606
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 63083648
1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 66425619
N-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 115861522
1-(2-chloro-3-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788734
2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol
CID 63661823
2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol
CID 65150275
2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115788665
1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol
CID 115506132
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol (CID 106886215) is 1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol is COc1ccc(Cl)cc1CC(O)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol?
The InChIKey is VDUUKCJXRJZOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClO3/c1-17-12-3-2-9(15)6-8(12)7-11(16)13-10(14)4-5-18-13/h2-6,11,16H,7H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol?
1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol has a molecular weight of 331.59 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 106886215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).