1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol

C17H23BrO3 — CID 79899154

IUPAC1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
SMILESCC(O)(c1ccccc1Br)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H23BrO3/c1-16(19,14-4-2-3-5-15(14)18)13-6-9-21-17(12-13)7-10-20-11-8-17/h2-5,13,19H,6-12H2,1H3
InChIKeyZXUZDALEHZODKX-UHFFFAOYSA-N
MW355.27 g/mol
LogP3.63
Rot. Bonds2

About 1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol

1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol (PubChem CID 79899154) has the molecular formula C17H23BrO3 and a molecular weight of 355.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
PubChem CID79899154
Molecular FormulaC17H23BrO3
Molecular Weight355.27 g/mol
Exact Mass354.08
IUPAC Name1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
SMILESCC(O)(c1ccccc1Br)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H23BrO3/c1-16(19,14-4-2-3-5-15(14)18)13-6-9-21-17(12-13)7-10-20-11-8-17/h2-5,13,19H,6-12H2,1H3
InChIKeyZXUZDALEHZODKX-UHFFFAOYSA-N
XLogP3.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79913527
1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79901777
1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79902533
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-thiophen-2-ylethanol
CID 79899168
1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79902291
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine
CID 79908078
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol
CID 79900027
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol
CID 79899451
1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79900340
4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 79905383
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
CID 79899148
1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79898549

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol?
The IUPAC name of 1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol (CID 79899154) is 1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol.
What is the SMILES notation for 1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol?
The canonical SMILES for 1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol is CC(O)(c1ccccc1Br)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol?
The InChIKey is ZXUZDALEHZODKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrO3/c1-16(19,14-4-2-3-5-15(14)18)13-6-9-21-17(12-13)7-10-20-11-8-17/h2-5,13,19H,6-12H2,1H3.
What are the key properties of 1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol?
1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol has a molecular weight of 355.27 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol is sourced from PubChem (CID 79899154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).