2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol

C15H19BrO — CID 79559401

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol
SMILESOC(CC1CC2CCC1C2)c1cccc(Br)c1
InChIInChI=1S/C15H19BrO/c16-14-3-1-2-12(8-14)15(17)9-13-7-10-4-5-11(13)6-10/h1-3,8,10-11,13,15,17H,4-7,9H2
InChIKeyDNGLBDAJNXUYAG-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.31
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol

2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol (PubChem CID 79559401) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol
PubChem CID79559401
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol
SMILESOC(CC1CC2CCC1C2)c1cccc(Br)c1
InChIInChI=1S/C15H19BrO/c16-14-3-1-2-12(8-14)15(17)9-13-7-10-4-5-11(13)6-10/h1-3,8,10-11,13,15,17H,4-7,9H2
InChIKeyDNGLBDAJNXUYAG-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethoxyphenyl)ethanol
CID 61101402
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methoxyphenyl)ethanol
CID 63428493
2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanol
CID 79558054
2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol
CID 79559068
1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol
CID 79557822
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol
CID 79560834
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-bromophenyl)-N-ethylpropan-1-amine
CID 79561949
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 61089139
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,5-trimethylphenyl)ethanol
CID 115807086
N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine
CID 114245867
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol
CID 102894010

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol (CID 79559401) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol is OC(CC1CC2CCC1C2)c1cccc(Br)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol?
The InChIKey is DNGLBDAJNXUYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO/c16-14-3-1-2-12(8-14)15(17)9-13-7-10-4-5-11(13)6-10/h1-3,8,10-11,13,15,17H,4-7,9H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol?
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol has a molecular weight of 295.22 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol is sourced from PubChem (CID 79559401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).