(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

C15H18Br2O2 — CID 107947647

IUPAC(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESOC(c1ccc(Br)cc1Br)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H18Br2O2/c16-11-2-3-12(13(17)8-11)14(18)10-4-7-19-15(9-10)5-1-6-15/h2-3,8,10,14,18H,1,4-7,9H2
InChIKeyAYLIIEYUMZBRSH-UHFFFAOYSA-N
MW390.12 g/mol
LogP4.59
Rot. Bonds2

About (2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol (PubChem CID 107947647) has the molecular formula C15H18Br2O2 and a molecular weight of 390.12 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
PubChem CID107947647
Molecular FormulaC15H18Br2O2
Molecular Weight390.12 g/mol
Exact Mass387.97
IUPAC Name(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESOC(c1ccc(Br)cc1Br)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H18Br2O2/c16-11-2-3-12(13(17)8-11)14(18)10-4-7-19-15(9-10)5-1-6-15/h2-3,8,10,14,18H,1,4-7,9H2
InChIKeyAYLIIEYUMZBRSH-UHFFFAOYSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823158
(4-bromo-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 81447084
(2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823298
(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
(2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79901810
[(2,5-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322235
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79902054
(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 113453307
(4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 81437214
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823213
(2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 82686001

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The IUPAC name of (2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol (CID 107947647) is (2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol.
What is the SMILES notation for (2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The canonical SMILES for (2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol is OC(c1ccc(Br)cc1Br)C1CCOC2(CCC2)C1.
What is the InChIKey of (2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The InChIKey is AYLIIEYUMZBRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2O2/c16-11-2-3-12(13(17)8-11)14(18)10-4-7-19-15(9-10)5-1-6-15/h2-3,8,10,14,18H,1,4-7,9H2.
What are the key properties of (2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol has a molecular weight of 390.12 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol is sourced from PubChem (CID 107947647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).