2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol

C12H14Br2OS — CID 63426688

IUPAC2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol
SMILESOC(c1cc(Br)sc1Br)C1CC2CCC1C2
InChIInChI=1S/C12H14Br2OS/c13-10-5-9(12(14)16-10)11(15)8-4-6-1-2-7(8)3-6/h5-8,11,15H,1-4H2
InChIKeyANZZCIQTHQIMMM-UHFFFAOYSA-N
MW366.12 g/mol
LogP4.74
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol

2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol (PubChem CID 63426688) has the molecular formula C12H14Br2OS and a molecular weight of 366.12 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol
PubChem CID63426688
Molecular FormulaC12H14Br2OS
Molecular Weight366.12 g/mol
Exact Mass363.91
IUPAC Name2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol
SMILESOC(c1cc(Br)sc1Br)C1CC2CCC1C2
InChIInChI=1S/C12H14Br2OS/c13-10-5-9(12(14)16-10)11(15)8-4-6-1-2-7(8)3-6/h5-8,11,15H,1-4H2
InChIKeyANZZCIQTHQIMMM-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.12
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol
CID 81473785
2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol
CID 63426600
(2,5-dibromothiophen-3-yl)-(3-methylcyclohexyl)methanol
CID 107969704
2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484426
6-[(2,5-dibromothiophen-3-yl)-hydroxymethyl]cyclohex-3-ene-1-carboxylic acid
CID 43345088
1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol
CID 61363792
3-[2-adamantyl(chloro)methyl]-2,5-dibromothiophene
CID 81095474
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79997853
2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol
CID 113383462
2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol
CID 106657571
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dibromothiophene-2-carboxamide
CID 98074257
2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanol
CID 114686755

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol (CID 63426688) is 2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol is OC(c1cc(Br)sc1Br)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol?
The InChIKey is ANZZCIQTHQIMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2OS/c13-10-5-9(12(14)16-10)11(15)8-4-6-1-2-7(8)3-6/h5-8,11,15H,1-4H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol?
2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol has a molecular weight of 366.12 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol is sourced from PubChem (CID 63426688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).