(3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol

C10H13BrO2S — CID 130506442

IUPAC(3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol
SMILESCSC1(C(O)c2occc2Br)CCC1
InChIInChI=1S/C10H13BrO2S/c1-14-10(4-2-5-10)9(12)8-7(11)3-6-13-8/h3,6,9,12H,2,4-5H2,1H3
InChIKeyGMKMVESNDSUQGF-UHFFFAOYSA-N
MW277.18 g/mol
LogP3.36
Rot. Bonds3

About (3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol

(3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol (PubChem CID 130506442) has the molecular formula C10H13BrO2S and a molecular weight of 277.18 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol
PubChem CID130506442
Molecular FormulaC10H13BrO2S
Molecular Weight277.18 g/mol
Exact Mass275.98
IUPAC Name(3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol
SMILESCSC1(C(O)c2occc2Br)CCC1
InChIInChI=1S/C10H13BrO2S/c1-14-10(4-2-5-10)9(12)8-7(11)3-6-13-8/h3,6,9,12H,2,4-5H2,1H3
InChIKeyGMKMVESNDSUQGF-UHFFFAOYSA-N
XLogP3.36
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromofuran-2-yl)-hydroxymethyl]cyclohexan-1-ol
CID 103451748
1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103452084
(3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol
CID 116754061
[1-(aminomethyl)cyclopropyl]-(3-bromofuran-2-yl)methanol
CID 130513437
[1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol
CID 106889639
[1-[1-(3-bromofuran-2-yl)ethylamino]cyclobutyl]methanol
CID 115927959
[1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol
CID 106889658
1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066055
1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070216
(3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine
CID 115861247
(3-bromofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115800584
1-[(3-bromofuran-2-yl)-hydroxymethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 106889628

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol (CID 130506442) is (3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol is CSC1(C(O)c2occc2Br)CCC1.
What is the InChIKey of (3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol?
The InChIKey is GMKMVESNDSUQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2S/c1-14-10(4-2-5-10)9(12)8-7(11)3-6-13-8/h3,6,9,12H,2,4-5H2,1H3.
What are the key properties of (3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol?
(3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol has a molecular weight of 277.18 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol is sourced from PubChem (CID 130506442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).