(2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol

C13H17BrO4 — CID 106859419

IUPAC(2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1ccoc1Br)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H17BrO4/c14-12-10(2-4-17-12)11(15)9-1-5-18-13(7-9)3-6-16-8-13/h2,4,9,11,15H,1,3,5-8H2
InChIKeySMCFFHFRXYFHEV-UHFFFAOYSA-N
MW317.18 g/mol
LogP2.66
Rot. Bonds2

About (2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol

(2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol (PubChem CID 106859419) has the molecular formula C13H17BrO4 and a molecular weight of 317.18 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
PubChem CID106859419
Molecular FormulaC13H17BrO4
Molecular Weight317.18 g/mol
Exact Mass316.03
IUPAC Name(2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1ccoc1Br)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H17BrO4/c14-12-10(2-4-17-12)11(15)9-1-5-18-13(7-9)3-6-16-8-13/h2,4,9,11,15H,1,3,5-8H2
InChIKeySMCFFHFRXYFHEV-UHFFFAOYSA-N
XLogP2.66
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823298
(2-bromo-5-methoxyphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 105116300
(2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913258
(2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913948
(2,4-dichlorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79901535
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859418
2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol
CID 79912707
(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 113453307
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
(5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79906542
(2-amino-5-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 82697881
(4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79900364

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol (CID 106859419) is (2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol is OC(c1ccoc1Br)C1CCOC2(CCOC2)C1.
What is the InChIKey of (2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is SMCFFHFRXYFHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO4/c14-12-10(2-4-17-12)11(15)9-1-5-18-13(7-9)3-6-16-8-13/h2,4,9,11,15H,1,3,5-8H2.
What are the key properties of (2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
(2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 317.18 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 106859419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).