2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol

C16H14Br2O — CID 107978498

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol
SMILESOC(CC1Cc2ccccc21)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H14Br2O/c17-13-6-12(7-14(18)9-13)16(19)8-11-5-10-3-1-2-4-15(10)11/h1-4,6-7,9,11,16,19H,5,8H2
InChIKeyXHFIGZYTJVHUHU-UHFFFAOYSA-N
MW382.10 g/mol
LogP4.97
Rot. Bonds3

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol (PubChem CID 107978498) has the molecular formula C16H14Br2O and a molecular weight of 382.10 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol
PubChem CID107978498
Molecular FormulaC16H14Br2O
Molecular Weight382.10 g/mol
Exact Mass379.94
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol
SMILESOC(CC1Cc2ccccc21)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H14Br2O/c17-13-6-12(7-14(18)9-13)16(19)8-11-5-10-3-1-2-4-15(10)11/h1-4,6-7,9,11,16,19H,5,8H2
InChIKeyXHFIGZYTJVHUHU-UHFFFAOYSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.10
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979238
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-bromophenyl)sulfanylpropan-2-ol
CID 66418784
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine
CID 105238729
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 105109885
7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 65438345
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,4-dibromophenyl)ethanamine
CID 107946236
1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63773172
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-thieno[3,2-b]pyridin-6-ylethanol
CID 81154212
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-hydrazinylethyl]-4-bromoaniline
CID 105263584
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(3-bromophenyl)propanoic acid
CID 79422062
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 115816721
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol
CID 115816723

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol (CID 107978498) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol is OC(CC1Cc2ccccc21)c1cc(Br)cc(Br)c1.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol?
The InChIKey is XHFIGZYTJVHUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O/c17-13-6-12(7-14(18)9-13)16(19)8-11-5-10-3-1-2-4-15(10)11/h1-4,6-7,9,11,16,19H,5,8H2.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol has a molecular weight of 382.10 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol is sourced from PubChem (CID 107978498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).