1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol

C14H15BrO4 — CID 63942827

IUPAC1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2occc2Br)cc1OC
InChIInChI=1S/C14H15BrO4/c1-17-12-4-3-9(8-13(12)18-2)7-11(16)14-10(15)5-6-19-14/h3-6,8,11,16H,7H2,1-2H3
InChIKeyPJCFQSGUHXCWDO-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.34
Rot. Bonds5

About 1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol

1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol (PubChem CID 63942827) has the molecular formula C14H15BrO4 and a molecular weight of 327.17 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol
PubChem CID63942827
Molecular FormulaC14H15BrO4
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2occc2Br)cc1OC
InChIInChI=1S/C14H15BrO4/c1-17-12-4-3-9(8-13(12)18-2)7-11(16)14-10(15)5-6-19-14/h3-6,8,11,16H,7H2,1-2H3
InChIKeyPJCFQSGUHXCWDO-UHFFFAOYSA-N
XLogP3.34
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 106886215
(2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol
CID 63941832
1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanol
CID 63942630
(3-bromofuran-2-yl)-(5-bromo-2-methoxyphenyl)methanol
CID 63941437
3-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]-2-methylfuran
CID 63017419
1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 106645022
2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804312
1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol
CID 115506132
2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol
CID 106886287
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
5-[2-(3,4-dimethoxyphenyl)-1-hydroxyethyl]furan-2-carboxylic acid
CID 106947420
(2S)-2-bromo-3-(3,4-dimethoxyphenyl)propanoic acid
CID 11077082

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol (CID 63942827) is 1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol is COc1ccc(CC(O)c2occc2Br)cc1OC.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol?
The InChIKey is PJCFQSGUHXCWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO4/c1-17-12-4-3-9(8-13(12)18-2)7-11(16)14-10(15)5-6-19-14/h3-6,8,11,16H,7H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol?
1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol has a molecular weight of 327.17 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 63942827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).