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

C16H20BrFO2 — CID 81437214

IUPAC(4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1ccc(Br)c(F)c1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H20BrFO2/c17-13-4-3-11(9-14(13)18)15(19)12-5-8-20-16(10-12)6-1-2-7-16/h3-4,9,12,15,19H,1-2,5-8,10H2
InChIKeyAEZOMLJDLXXYMH-UHFFFAOYSA-N
MW343.24 g/mol
LogP4.36
Rot. Bonds2

About (4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

(4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 81437214) has the molecular formula C16H20BrFO2 and a molecular weight of 343.24 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID81437214
Molecular FormulaC16H20BrFO2
Molecular Weight343.24 g/mol
Exact Mass342.06
IUPAC Name(4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1ccc(Br)c(F)c1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H20BrFO2/c17-13-4-3-11(9-14(13)18)15(19)12-5-8-20-16(10-12)6-1-2-7-16/h3-4,9,12,15,19H,1-2,5-8,10H2
InChIKeyAEZOMLJDLXXYMH-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

(3-bromo-4-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79906549
(4-bromo-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 81447084
(3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79907174
(3-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823077
(3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79921119
(4-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79912706
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 105116035
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106695822
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823213
(4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79970798

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 81437214) is (4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is OC(c1ccc(Br)c(F)c1)C1CCOC2(CCCC2)C1.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is AEZOMLJDLXXYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFO2/c17-13-4-3-11(9-14(13)18)15(19)12-5-8-20-16(10-12)6-1-2-7-16/h3-4,9,12,15,19H,1-2,5-8,10H2.
What are the key properties of (4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(4-bromo-3-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 (4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 81437214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).