1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-ylbutan-2-ol

C17H19NO — CID 105109974

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-ylbutan-2-ol
SMILESOC(CCc1ccccn1)CC1Cc2ccccc21
InChIInChI=1S/C17H19NO/c19-16(9-8-15-6-3-4-10-18-15)12-14-11-13-5-1-2-7-17(13)14/h1-7,10,14,16,19H,8-9,11-12H2
InChIKeyYLRHHWMWYFPBIH-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.11
Rot. Bonds5

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-ylbutan-2-ol

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-ylbutan-2-ol (PubChem CID 105109974) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-ylbutan-2-ol.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-ylbutan-2-ol
PubChem CID105109974
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-ylbutan-2-ol
SMILESOC(CCc1ccccn1)CC1Cc2ccccc21
InChIInChI=1S/C17H19NO/c19-16(9-8-15-6-3-4-10-18-15)12-14-11-13-5-1-2-7-17(13)14/h1-7,10,14,16,19H,8-9,11-12H2
InChIKeyYLRHHWMWYFPBIH-UHFFFAOYSA-N
XLogP3.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-ylbutan-2-ol with MolForge

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Related Compounds

5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol
CID 106677838
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-pyridin-2-ylpropan-2-one
CID 66417796
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylsulfanylpropan-2-ol
CID 66419569
1-propoxy-4-pyridin-2-ylbutan-2-ol
CID 105112007
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,5-difluorophenyl)propan-2-ol
CID 66417614
1-pyridin-2-yldec-9-en-3-ol
CID 107012287
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol
CID 115816723
1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol
CID 105080302
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 115336436
1-(furan-2-yl)-4-pyridin-2-ylbutan-2-ol
CID 105122992
2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine
CID 175722818
1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 43166281

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-ylbutan-2-ol?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-ylbutan-2-ol (CID 105109974) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-ylbutan-2-ol.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-ylbutan-2-ol?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-ylbutan-2-ol is OC(CCc1ccccn1)CC1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-ylbutan-2-ol?
The InChIKey is YLRHHWMWYFPBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-16(9-8-15-6-3-4-10-18-15)12-14-11-13-5-1-2-7-17(13)14/h1-7,10,14,16,19H,8-9,11-12H2.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-ylbutan-2-ol?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-ylbutan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-ylbutan-2-ol is sourced from PubChem (CID 105109974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).