benzylcyclooctatetraene

C15H14 — CID 57201386

IUPACbenzylcyclooctatetraene
SMILESC1=CC=CC(Cc2ccccc2)=CC=C1
InChIInChI=1S/C15H14/c1-2-5-9-14(10-6-3-1)13-15-11-7-4-8-12-15/h1-12H,13H2
InChIKeyGQIHEGXAWBQAHN-UHFFFAOYSA-N
MW194.28 g/mol
LogP3.84
Rot. Bonds2

About benzylcyclooctatetraene

benzylcyclooctatetraene (PubChem CID 57201386) has the molecular formula C15H14 and a molecular weight of 194.28 g/mol. Its IUPAC name is benzylcyclooctatetraene.

Molecular Properties

Compound Namebenzylcyclooctatetraene
PubChem CID57201386
Molecular FormulaC15H14
Molecular Weight194.28 g/mol
Exact Mass194.11
IUPAC Namebenzylcyclooctatetraene
SMILESC1=CC=CC(Cc2ccccc2)=CC=C1
InChIInChI=1S/C15H14/c1-2-5-9-14(10-6-3-1)13-15-11-7-4-8-12-15/h1-12H,13H2
InChIKeyGQIHEGXAWBQAHN-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

phenyl(113C)methylbenzene
CID 11194569
potassium;benzylbenzene;hydride
CID 173011788
[1-(4-benzylazepin-1-yl)cyclohexyl]methanol
CID 142026865
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
benzylbenzene;isocyanic acid
CID 172862527
(4E)-4-benzyl-2-[2-(cyclooctatetraenyl)ethoxy]-3,11-diazabicyclo[6.5.0]trideca-1(8),2,4-triene
CID 145481594
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
benzylbenzene;ethane;methanamine
CID 54117827
1,4-bis(4-benzylphenyl)benzene
CID 58251041
benzylbenzene;methoxymethane
CID 161110966
cyclohexa-1,5-dien-1-ylmethylbenzene;ethane
CID 143782404

Frequently Asked Questions

What is the IUPAC name of benzylcyclooctatetraene?
The IUPAC name of benzylcyclooctatetraene (CID 57201386) is benzylcyclooctatetraene.
What is the SMILES notation for benzylcyclooctatetraene?
The canonical SMILES for benzylcyclooctatetraene is C1=CC=CC(Cc2ccccc2)=CC=C1.
What is the InChIKey of benzylcyclooctatetraene?
The InChIKey is GQIHEGXAWBQAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14/c1-2-5-9-14(10-6-3-1)13-15-11-7-4-8-12-15/h1-12H,13H2.
What are the key properties of benzylcyclooctatetraene?
benzylcyclooctatetraene has a molecular weight of 194.28 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylcyclooctatetraene is sourced from PubChem (CID 57201386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).