7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol

C19H20O — CID 114602257

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol
SMILESOC(c1ccccc1C1CCC1)C1Cc2ccccc21
InChIInChI=1S/C19H20O/c20-19(18-12-14-6-1-2-10-16(14)18)17-11-4-3-9-15(17)13-7-5-8-13/h1-4,6,9-11,13,18-20H,5,7-8,12H2
InChIKeyCDFLEHVFNZDQHE-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.33
Rot. Bonds3

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

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol (PubChem CID 114602257) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol
PubChem CID114602257
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol
SMILESOC(c1ccccc1C1CCC1)C1Cc2ccccc21
InChIInChI=1S/C19H20O/c20-19(18-12-14-6-1-2-10-16(14)18)17-11-4-3-9-15(17)13-7-5-8-13/h1-4,6,9-11,13,18-20H,5,7-8,12H2
InChIKeyCDFLEHVFNZDQHE-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol
CID 64986314
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol
CID 66395768
(1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol
CID 104939856
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol
CID 66272474
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol
CID 114191995
(2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595728
1-(2-cyclobutylphenyl)butane-1,2-diol
CID 103454593
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol
CID 64986608
(2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 79970709
(1R)-1-[2-(2-cyclobutylphenyl)phenyl]ethanol
CID 71129039
2-amino-1-(2-cyclohexylphenyl)ethanol
CID 83837309
(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetic acid
CID 66680296

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol (CID 114602257) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol is OC(c1ccccc1C1CCC1)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol?
The InChIKey is CDFLEHVFNZDQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c20-19(18-12-14-6-1-2-10-16(14)18)17-11-4-3-9-15(17)13-7-5-8-13/h1-4,6,9-11,13,18-20H,5,7-8,12H2.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol has a molecular weight of 264.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol is sourced from PubChem (CID 114602257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).