1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol

C13H21BrO2 — CID 106886301

IUPAC1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol
SMILESCCCCC(CC)CC(O)c1occc1Br
InChIInChI=1S/C13H21BrO2/c1-3-5-6-10(4-2)9-12(15)13-11(14)7-8-16-13/h7-8,10,12,15H,3-6,9H2,1-2H3
InChIKeyRUOMDGFAQIOADK-UHFFFAOYSA-N
MW289.21 g/mol
LogP4.68
Rot. Bonds7

About 1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol

1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol (PubChem CID 106886301) has the molecular formula C13H21BrO2 and a molecular weight of 289.21 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol
PubChem CID106886301
Molecular FormulaC13H21BrO2
Molecular Weight289.21 g/mol
Exact Mass288.07
IUPAC Name1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol
SMILESCCCCC(CC)CC(O)c1occc1Br
InChIInChI=1S/C13H21BrO2/c1-3-5-6-10(4-2)9-12(15)13-11(14)7-8-16-13/h7-8,10,12,15H,3-6,9H2,1-2H3
InChIKeyRUOMDGFAQIOADK-UHFFFAOYSA-N
XLogP4.68
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-3-ethylheptan-1-ol
CID 114329962
1-(3-bromo-2-methylphenyl)-3-ethylheptan-1-ol
CID 114981334
[3-ethyl-1-(3-methylfuran-2-yl)heptyl]hydrazine
CID 105269334
1-(3-bromofuran-2-yl)pentane-1,2-diol
CID 103454948
1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 63943593
1-(3-bromofuran-2-yl)hexan-1-amine
CID 115861654
3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine
CID 113455219
1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol
CID 102829735
3-ethyl-1-(2-methylphenyl)heptan-1-ol
CID 63411121
1-(3-methylfuran-2-yl)nonan-1-ol
CID 104800699
3-ethyl-1-(2-methylsulfanylphenyl)heptan-1-ol
CID 114981298
2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde
CID 24851106

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol?
The IUPAC name of 1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol (CID 106886301) is 1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol is CCCCC(CC)CC(O)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol?
The InChIKey is RUOMDGFAQIOADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrO2/c1-3-5-6-10(4-2)9-12(15)13-11(14)7-8-16-13/h7-8,10,12,15H,3-6,9H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol?
1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol has a molecular weight of 289.21 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol is sourced from PubChem (CID 106886301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).