3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol

C17H23BrO2 — CID 82826223

IUPAC3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol
SMILESOC1CC(OCc2ccccc2Br)C12CCCCCC2
InChIInChI=1S/C17H23BrO2/c18-14-8-4-3-7-13(14)12-20-16-11-15(19)17(16)9-5-1-2-6-10-17/h3-4,7-8,15-16,19H,1-2,5-6,9-12H2
InChIKeyJSACEBDRLSRTFH-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.44
Rot. Bonds3

About 3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol

3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol (PubChem CID 82826223) has the molecular formula C17H23BrO2 and a molecular weight of 339.27 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol.

Molecular Properties

Compound Name3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol
PubChem CID82826223
Molecular FormulaC17H23BrO2
Molecular Weight339.27 g/mol
Exact Mass338.09
IUPAC Name3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol
SMILESOC1CC(OCc2ccccc2Br)C12CCCCCC2
InChIInChI=1S/C17H23BrO2/c18-14-8-4-3-7-13(14)12-20-16-11-15(19)17(16)9-5-1-2-6-10-17/h3-4,7-8,15-16,19H,1-2,5-6,9-12H2
InChIKeyJSACEBDRLSRTFH-UHFFFAOYSA-N
XLogP4.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol
CID 66345231
3-phenylmethoxyspiro[3.5]nonan-1-ol
CID 66366074
3-bromo-1-[(2-fluorophenyl)methoxy]spiro[3.6]decane
CID 66345184
3-[(2-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol
CID 104673747
(1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol
CID 95396494
3-(2-bromo-4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367535
3-(2-fluorophenoxy)spiro[3.6]decan-1-ol
CID 66366664
3-(3-methylbutoxy)spiro[3.4]octan-1-ol
CID 66367928
(2-bromophenyl)methyl 1-(aminomethyl)cyclohexane-1-carboxylate
CID 82823967
3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
CID 66353126
2-[(2-bromophenyl)methoxy]cycloheptan-1-amine
CID 82831822
3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol
CID 66368938

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol?
The IUPAC name of 3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol (CID 82826223) is 3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol.
What is the SMILES notation for 3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol?
The canonical SMILES for 3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol is OC1CC(OCc2ccccc2Br)C12CCCCCC2.
What is the InChIKey of 3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol?
The InChIKey is JSACEBDRLSRTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrO2/c18-14-8-4-3-7-13(14)12-20-16-11-15(19)17(16)9-5-1-2-6-10-17/h3-4,7-8,15-16,19H,1-2,5-6,9-12H2.
What are the key properties of 3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol?
3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol has a molecular weight of 339.27 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol is sourced from PubChem (CID 82826223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).