2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol

C16H17NO — CID 105109885

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol
SMILESCc1ccc(C(O)CC2Cc3ccccc32)cn1
InChIInChI=1S/C16H17NO/c1-11-6-7-13(10-17-11)16(18)9-14-8-12-4-2-3-5-15(12)14/h2-7,10,14,16,18H,8-9H2,1H3
InChIKeyOSAFKCMJPLKHIV-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.15
Rot. Bonds3

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol (PubChem CID 105109885) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol
PubChem CID105109885
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol
SMILESCc1ccc(C(O)CC2Cc3ccccc32)cn1
InChIInChI=1S/C16H17NO/c1-11-6-7-13(10-17-11)16(18)9-14-8-12-4-2-3-5-15(12)14/h2-7,10,14,16,18H,8-9H2,1H3
InChIKeyOSAFKCMJPLKHIV-UHFFFAOYSA-N
XLogP3.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol with MolForge

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Related Compounds

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-thieno[3,2-b]pyridin-6-ylethanol
CID 81154212
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol
CID 107978498
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 64984458
1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol
CID 105096815
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408111
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol
CID 115816723
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713215
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)pent-4-en-2-ol
CID 116659873
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105319368
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylsulfanylpropan-2-ol
CID 66419569
7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 65438345

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol (CID 105109885) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol is Cc1ccc(C(O)CC2Cc3ccccc32)cn1.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol?
The InChIKey is OSAFKCMJPLKHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-6-7-13(10-17-11)16(18)9-14-8-12-4-2-3-5-15(12)14/h2-7,10,14,16,18H,8-9H2,1H3.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol has a molecular weight of 239.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 105109885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).