7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol

C15H15NO — CID 66272474

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol
SMILESCc1ccncc1C(O)C1Cc2ccccc21
InChIInChI=1S/C15H15NO/c1-10-6-7-16-9-14(10)15(17)13-8-11-4-2-3-5-12(11)13/h2-7,9,13,15,17H,8H2,1H3
InChIKeyGXQRWOTVKUPKCV-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.76
Rot. Bonds2

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol (PubChem CID 66272474) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol
PubChem CID66272474
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol
SMILESCc1ccncc1C(O)C1Cc2ccccc21
InChIInChI=1S/C15H15NO/c1-10-6-7-16-9-14(10)15(17)13-8-11-4-2-3-5-12(11)13/h2-7,9,13,15,17H,8H2,1H3
InChIKeyGXQRWOTVKUPKCV-UHFFFAOYSA-N
XLogP2.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol (CID 66272474) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol is Cc1ccncc1C(O)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol?
The InChIKey is GXQRWOTVKUPKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-10-6-7-16-9-14(10)15(17)13-8-11-4-2-3-5-12(11)13/h2-7,9,13,15,17H,8H2,1H3.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol has a molecular weight of 225.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 66272474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).