[3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol

C15H19BrO4 — CID 79894610

IUPAC[3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol
SMILESOCc1cccc(Br)c1OC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H19BrO4/c16-13-3-1-2-11(9-17)14(13)20-12-4-6-19-15(8-12)5-7-18-10-15/h1-3,12,17H,4-10H2
InChIKeyVMTLTBBDZFSKEW-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.66
Rot. Bonds3

About [3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol

[3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol (PubChem CID 79894610) has the molecular formula C15H19BrO4 and a molecular weight of 343.22 g/mol. Its IUPAC name is [3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol
PubChem CID79894610
Molecular FormulaC15H19BrO4
Molecular Weight343.22 g/mol
Exact Mass342.05
IUPAC Name[3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol
SMILESOCc1cccc(Br)c1OC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H19BrO4/c16-13-3-1-2-11(9-17)14(13)20-12-4-6-19-15(8-12)5-7-18-10-15/h1-3,12,17H,4-10H2
InChIKeyVMTLTBBDZFSKEW-UHFFFAOYSA-N
XLogP2.66
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol with MolForge

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Related Compounds

[3-bromo-2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79899075
[3-bromo-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methanamine
CID 79904447
4-[2-bromo-6-(bromomethyl)phenoxy]-1-oxaspiro[5.5]undecane
CID 79900229
1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]-N-methylmethanamine
CID 115952199
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine
CID 115957697
[3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol
CID 79899040
4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 79905383
9-[4-bromo-2-(bromomethyl)-6-methylphenoxy]-2,6-dioxaspiro[4.5]decane
CID 115962401
9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane
CID 83231233
[3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79894680
3-chloro-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzaldehyde
CID 115955623
9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 103432370

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol?
The IUPAC name of [3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol (CID 79894610) is [3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol.
What is the SMILES notation for [3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol?
The canonical SMILES for [3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol is OCc1cccc(Br)c1OC1CCOC2(CCOC2)C1.
What is the InChIKey of [3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol?
The InChIKey is VMTLTBBDZFSKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO4/c16-13-3-1-2-11(9-17)14(13)20-12-4-6-19-15(8-12)5-7-18-10-15/h1-3,12,17H,4-10H2.
What are the key properties of [3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol?
[3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol has a molecular weight of 343.22 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol is sourced from PubChem (CID 79894610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).