1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol

C16H21BrO — CID 79559635

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol
SMILESCC(O)(CC1CC2CCC1C2)c1ccccc1Br
InChIInChI=1S/C16H21BrO/c1-16(18,14-4-2-3-5-15(14)17)10-13-9-11-6-7-12(13)8-11/h2-5,11-13,18H,6-10H2,1H3
InChIKeyHYDSWTOUORDRIH-UHFFFAOYSA-N
MW309.25 g/mol
LogP4.48
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol (PubChem CID 79559635) has the molecular formula C16H21BrO and a molecular weight of 309.25 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol
PubChem CID79559635
Molecular FormulaC16H21BrO
Molecular Weight309.25 g/mol
Exact Mass308.08
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol
SMILESCC(O)(CC1CC2CCC1C2)c1ccccc1Br
InChIInChI=1S/C16H21BrO/c1-16(18,14-4-2-3-5-15(14)17)10-13-9-11-6-7-12(13)8-11/h2-5,11-13,18H,6-10H2,1H3
InChIKeyHYDSWTOUORDRIH-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol (CID 79559635) is 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol is CC(O)(CC1CC2CCC1C2)c1ccccc1Br.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol?
The InChIKey is HYDSWTOUORDRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrO/c1-16(18,14-4-2-3-5-15(14)17)10-13-9-11-6-7-12(13)8-11/h2-5,11-13,18H,6-10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol has a molecular weight of 309.25 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol is sourced from PubChem (CID 79559635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).