(3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

C16H20BrFO2 — CID 79921119

IUPAC(3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1cc(F)cc(Br)c1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H20BrFO2/c17-13-7-12(8-14(18)9-13)15(19)11-3-6-20-16(10-11)4-1-2-5-16/h7-9,11,15,19H,1-6,10H2
InChIKeyFGOWVKRVARKXPU-UHFFFAOYSA-N
MW343.24 g/mol
LogP4.36
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

(3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 79921119) has the molecular formula C16H20BrFO2 and a molecular weight of 343.24 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID79921119
Molecular FormulaC16H20BrFO2
Molecular Weight343.24 g/mol
Exact Mass342.06
IUPAC Name(3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1cc(F)cc(Br)c1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H20BrFO2/c17-13-7-12(8-14(18)9-13)15(19)11-3-6-20-16(10-11)4-1-2-5-16/h7-9,11,15,19H,1-6,10H2
InChIKeyFGOWVKRVARKXPU-UHFFFAOYSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 81437214
(5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 105116035
(3-bromo-4-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79906549
(3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol
CID 107136132
(4-bromo-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 81447084
(3-bromo-5-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79912132
(3-bromo-5-fluorophenyl)-cyclohexylmethanol
CID 66425421
(3-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823077
(4-bromo-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823158
(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 107947647
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106695822

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 79921119) is (3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is OC(c1cc(F)cc(Br)c1)C1CCOC2(CCCC2)C1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is FGOWVKRVARKXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFO2/c17-13-7-12(8-14(18)9-13)15(19)11-3-6-20-16(10-11)4-1-2-5-16/h7-9,11,15,19H,1-6,10H2.
What are the key properties of (3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 343.24 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79921119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).