1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol

C17H23BrO2 — CID 79902533

IUPAC1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
SMILESCC(O)(c1cccc(Br)c1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H23BrO2/c1-16(19,13-5-4-6-15(18)11-13)14-7-10-20-17(12-14)8-2-3-9-17/h4-6,11,14,19H,2-3,7-10,12H2,1H3
InChIKeySJFBVHBTKYKWDE-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.40
Rot. Bonds2

About 1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol

1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol (PubChem CID 79902533) has the molecular formula C17H23BrO2 and a molecular weight of 339.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
PubChem CID79902533
Molecular FormulaC17H23BrO2
Molecular Weight339.27 g/mol
Exact Mass338.09
IUPAC Name1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
SMILESCC(O)(c1cccc(Br)c1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H23BrO2/c1-16(19,13-5-4-6-15(18)11-13)14-7-10-20-17(12-14)8-2-3-9-17/h4-6,11,14,19H,2-3,7-10,12H2,1H3
InChIKeySJFBVHBTKYKWDE-UHFFFAOYSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79899151
1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79900028
1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79900340
1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79902301
1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79898549
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol
CID 79900027
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
CID 79899148
1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79912756
1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
CID 79899154
1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79913527
1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 82779843
1-(2,4-dichloro-5-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79902299

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol?
The IUPAC name of 1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol (CID 79902533) is 1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol is CC(O)(c1cccc(Br)c1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol?
The InChIKey is SJFBVHBTKYKWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrO2/c1-16(19,13-5-4-6-15(18)11-13)14-7-10-20-17(12-14)8-2-3-9-17/h4-6,11,14,19H,2-3,7-10,12H2,1H3.
What are the key properties of 1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol?
1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol has a molecular weight of 339.27 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol is sourced from PubChem (CID 79902533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).