2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromophenyl)propan-2-ol

C16H21BrO — CID 114245785

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(Br)cc1)C1CC2CCC1C2
InChIInChI=1S/C16H21BrO/c1-16(18,10-11-3-6-14(17)7-4-11)15-9-12-2-5-13(15)8-12/h3-4,6-7,12-13,15,18H,2,5,8-10H2,1H3
InChIKeyPPRNKJZLXCQRRV-UHFFFAOYSA-N
MW309.25 g/mol
LogP4.18
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromophenyl)propan-2-ol

2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromophenyl)propan-2-ol (PubChem CID 114245785) has the molecular formula C16H21BrO and a molecular weight of 309.25 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromophenyl)propan-2-ol
PubChem CID114245785
Molecular FormulaC16H21BrO
Molecular Weight309.25 g/mol
Exact Mass308.08
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(Br)cc1)C1CC2CCC1C2
InChIInChI=1S/C16H21BrO/c1-16(18,10-11-3-6-14(17)7-4-11)15-9-12-2-5-13(15)8-12/h3-4,6-7,12-13,15,18H,2,5,8-10H2,1H3
InChIKeyPPRNKJZLXCQRRV-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
CID 64767313
1-[4-[(4-bromophenyl)-cyclopropylmethyl]phenyl]-2-methylpropan-2-ol
CID 91106431
2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol
CID 58958840
3-(4-bromophenyl)-2-hydroxy-2-methylpropanal
CID 66037437
2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methylpropanoic acid
CID 10071677
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(4-bromophenyl)methyl]piperazine-1,4-diium
CID 2251504
1-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)ethanol
CID 129179833
2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane
CID 68641749
2-benzyl-2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanedinitrile
CID 139089766
2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol
CID 114246918
2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol
CID 55193773
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-bromophenyl)-N-methylpropan-1-amine
CID 79561700

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromophenyl)propan-2-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromophenyl)propan-2-ol (CID 114245785) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromophenyl)propan-2-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromophenyl)propan-2-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromophenyl)propan-2-ol is CC(O)(Cc1ccc(Br)cc1)C1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromophenyl)propan-2-ol?
The InChIKey is PPRNKJZLXCQRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrO/c1-16(18,10-11-3-6-14(17)7-4-11)15-9-12-2-5-13(15)8-12/h3-4,6-7,12-13,15,18H,2,5,8-10H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromophenyl)propan-2-ol?
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromophenyl)propan-2-ol has a molecular weight of 309.25 g/mol, XLogP of 4.18, 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-(4-bromophenyl)propan-2-ol is sourced from PubChem (CID 114245785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).