1-(3-bromofuran-2-yl)pentane-1,2-diol

C9H13BrO3 — CID 103454948

IUPAC1-(3-bromofuran-2-yl)pentane-1,2-diol
SMILESCCCC(O)C(O)c1occc1Br
InChIInChI=1S/C9H13BrO3/c1-2-3-7(11)8(12)9-6(10)4-5-13-9/h4-5,7-8,11-12H,2-3H2,1H3
InChIKeyDSUBTIXTYQAHPK-UHFFFAOYSA-N
MW249.10 g/mol
LogP2.24
Rot. Bonds4

About 1-(3-bromofuran-2-yl)pentane-1,2-diol

1-(3-bromofuran-2-yl)pentane-1,2-diol (PubChem CID 103454948) has the molecular formula C9H13BrO3 and a molecular weight of 249.10 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)pentane-1,2-diol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)pentane-1,2-diol
PubChem CID103454948
Molecular FormulaC9H13BrO3
Molecular Weight249.10 g/mol
Exact Mass248.00
IUPAC Name1-(3-bromofuran-2-yl)pentane-1,2-diol
SMILESCCCC(O)C(O)c1occc1Br
InChIInChI=1S/C9H13BrO3/c1-2-3-7(11)8(12)9-6(10)4-5-13-9/h4-5,7-8,11-12H,2-3H2,1H3
InChIKeyDSUBTIXTYQAHPK-UHFFFAOYSA-N
XLogP2.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 63943593
3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol
CID 106889652
ethyl 2-(3-bromofuran-2-yl)pentanoate
CID 83042433
1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine
CID 115861224
1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol
CID 106886301
1-(3-bromofuran-2-yl)-2-ethylbutane-1,2-diol
CID 103449389
3-(3-bromofuran-2-yl)-3-hydroxy-2-methylpropanenitrile
CID 106889617
1-(3-bromofuran-2-yl)hexan-1-amine
CID 115861654
1-(3-bromofuran-2-yl)hexan-3-ol
CID 64513222
ethyl 2-(3-bromofuran-2-yl)propanoate
CID 101398465
3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide
CID 171869605
[1-(3-bromofuran-2-yl)-2-methoxypentyl]hydrazine
CID 105271903

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)pentane-1,2-diol?
The IUPAC name of 1-(3-bromofuran-2-yl)pentane-1,2-diol (CID 103454948) is 1-(3-bromofuran-2-yl)pentane-1,2-diol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)pentane-1,2-diol?
The canonical SMILES for 1-(3-bromofuran-2-yl)pentane-1,2-diol is CCCC(O)C(O)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)pentane-1,2-diol?
The InChIKey is DSUBTIXTYQAHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrO3/c1-2-3-7(11)8(12)9-6(10)4-5-13-9/h4-5,7-8,11-12H,2-3H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)pentane-1,2-diol?
1-(3-bromofuran-2-yl)pentane-1,2-diol has a molecular weight of 249.10 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)pentane-1,2-diol is sourced from PubChem (CID 103454948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).