2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol

C15H18Br2O — CID 81473785

IUPAC2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol
SMILESCc1cc(Br)c(C(O)C2CC3CCC2C3)cc1Br
InChIInChI=1S/C15H18Br2O/c1-8-4-14(17)12(7-13(8)16)15(18)11-6-9-2-3-10(11)5-9/h4,7,9-11,15,18H,2-3,5-6H2,1H3
InChIKeyLPORGFGPSNGRRY-UHFFFAOYSA-N
MW374.12 g/mol
LogP4.99
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol

2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol (PubChem CID 81473785) has the molecular formula C15H18Br2O and a molecular weight of 374.12 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol
PubChem CID81473785
Molecular FormulaC15H18Br2O
Molecular Weight374.12 g/mol
Exact Mass371.97
IUPAC Name2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol
SMILESCc1cc(Br)c(C(O)C2CC3CCC2C3)cc1Br
InChIInChI=1S/C15H18Br2O/c1-8-4-14(17)12(7-13(8)16)15(18)11-6-9-2-3-10(11)5-9/h4,7,9-11,15,18H,2-3,5-6H2,1H3
InChIKeyLPORGFGPSNGRRY-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.12
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484426
2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol
CID 63426688
2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol
CID 63426600
(2,5-dibromo-4-methylphenyl)-(oxan-2-yl)methanol
CID 81474176
2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol
CID 113383462
3-[chloro-(2,5-dibromo-4-methylphenyl)methyl]tricyclo[3.2.1.02,4]octane
CID 114097149
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine
CID 114869144
2-bicyclo[2.2.1]heptanyl-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114645446
N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 105401525
2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanol
CID 114686755
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine
CID 114246647
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol (CID 81473785) is 2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol is Cc1cc(Br)c(C(O)C2CC3CCC2C3)cc1Br.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol?
The InChIKey is LPORGFGPSNGRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2O/c1-8-4-14(17)12(7-13(8)16)15(18)11-6-9-2-3-10(11)5-9/h4,7,9-11,15,18H,2-3,5-6H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol?
2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol has a molecular weight of 374.12 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol is sourced from PubChem (CID 81473785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).