(3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol

C15H21BrO3 — CID 106886310

IUPAC(3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
SMILESOC(c1occc1Br)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H21BrO3/c16-12-5-8-18-14(12)13(17)11-4-9-19-15(10-11)6-2-1-3-7-15/h5,8,11,13,17H,1-4,6-7,9-10H2
InChIKeyKADKZLBSWDXCCO-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.20
Rot. Bonds2

About (3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol

(3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol (PubChem CID 106886310) has the molecular formula C15H21BrO3 and a molecular weight of 329.23 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
PubChem CID106886310
Molecular FormulaC15H21BrO3
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name(3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
SMILESOC(c1occc1Br)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H21BrO3/c16-12-5-8-18-14(12)13(17)11-4-9-19-15(10-11)6-2-1-3-7-15/h5,8,11,13,17H,1-4,6-7,9-10H2
InChIKeyKADKZLBSWDXCCO-UHFFFAOYSA-N
XLogP4.20
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 104800788
(3-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823077
(3-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115380927
(3-bromo-4-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79906549
furan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899469
(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 113453307
(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 107947647
(4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 81437214
(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 104800791
(4-bromo-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823158
(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823060
(4-bromo-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 81447084

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol (CID 106886310) is (3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol is OC(c1occc1Br)C1CCOC2(CCCCC2)C1.
What is the InChIKey of (3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is KADKZLBSWDXCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO3/c16-12-5-8-18-14(12)13(17)11-4-9-19-15(10-11)6-2-1-3-7-15/h5,8,11,13,17H,1-4,6-7,9-10H2.
What are the key properties of (3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
(3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 329.23 g/mol, XLogP of 4.20, 2 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-oxaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 106886310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).