(2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol

C15H18Br2O3 — CID 115823298

IUPAC(2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1cc(Br)ccc1Br)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H18Br2O3/c16-11-1-2-13(17)12(7-11)14(18)10-3-5-20-15(8-10)4-6-19-9-15/h1-2,7,10,14,18H,3-6,8-9H2
InChIKeyFXXCGFUSUVDAFW-UHFFFAOYSA-N
MW406.11 g/mol
LogP3.83
Rot. Bonds2

About (2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol

(2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol (PubChem CID 115823298) has the molecular formula C15H18Br2O3 and a molecular weight of 406.11 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
PubChem CID115823298
Molecular FormulaC15H18Br2O3
Molecular Weight406.11 g/mol
Exact Mass403.96
IUPAC Name(2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1cc(Br)ccc1Br)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H18Br2O3/c16-11-1-2-13(17)12(7-11)14(18)10-3-5-20-15(8-10)4-6-19-9-15/h1-2,7,10,14,18H,3-6,8-9H2
InChIKeyFXXCGFUSUVDAFW-UHFFFAOYSA-N
XLogP3.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.11
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-methoxyphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 105116300
1-(2,5-dibromophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017245
(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-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859419
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859418
(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 107947647
(2,4-dichlorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79901535
(4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79900364
2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol
CID 79912707
(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

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol (CID 115823298) is (2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol is OC(c1cc(Br)ccc1Br)C1CCOC2(CCOC2)C1.
What is the InChIKey of (2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is FXXCGFUSUVDAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2O3/c16-11-1-2-13(17)12(7-11)14(18)10-3-5-20-15(8-10)4-6-19-9-15/h1-2,7,10,14,18H,3-6,8-9H2.
What are the key properties of (2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
(2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 406.11 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 115823298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).