2-phenylcycloocta-1,3,5-triene

C14H14 — CID 123254366

IUPAC2-phenylcycloocta-1,3,5-triene
SMILESC1=CCCC=C(c2ccccc2)C=C1
InChIInChI=1S/C14H14/c1-2-5-9-13(10-6-3-1)14-11-7-4-8-12-14/h1-2,4-5,7-12H,3,6H2
InChIKeyGELKVZQSRHJVTL-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.98
Rot. Bonds1

About 2-phenylcycloocta-1,3,5-triene

2-phenylcycloocta-1,3,5-triene (PubChem CID 123254366) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-phenylcycloocta-1,3,5-triene.

Molecular Properties

Compound Name2-phenylcycloocta-1,3,5-triene
PubChem CID123254366
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Name2-phenylcycloocta-1,3,5-triene
SMILESC1=CCCC=C(c2ccccc2)C=C1
InChIInChI=1S/C14H14/c1-2-5-9-13(10-6-3-1)14-11-7-4-8-12-14/h1-2,4-5,7-12H,3,6H2
InChIKeyGELKVZQSRHJVTL-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
ethane;methane;2-phenylcyclohepta-1,3,5-triene
CID 154646973
1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene
CID 174079697
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine
CID 146207336
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 142451993
cyclohexa-1,5-dien-1-ylbenzene;(E)-pent-3-en-1-yne
CID 142034802
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene
CID 144527503
cyclobutadienylbenzene
CID 86042442
2-(4-cyclohepta-1,4,6-trien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144705647

Frequently Asked Questions

What is the IUPAC name of 2-phenylcycloocta-1,3,5-triene?
The IUPAC name of 2-phenylcycloocta-1,3,5-triene (CID 123254366) is 2-phenylcycloocta-1,3,5-triene.
What is the SMILES notation for 2-phenylcycloocta-1,3,5-triene?
The canonical SMILES for 2-phenylcycloocta-1,3,5-triene is C1=CCCC=C(c2ccccc2)C=C1.
What is the InChIKey of 2-phenylcycloocta-1,3,5-triene?
The InChIKey is GELKVZQSRHJVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14/c1-2-5-9-13(10-6-3-1)14-11-7-4-8-12-14/h1-2,4-5,7-12H,3,6H2.
What are the key properties of 2-phenylcycloocta-1,3,5-triene?
2-phenylcycloocta-1,3,5-triene has a molecular weight of 182.27 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylcycloocta-1,3,5-triene is sourced from PubChem (CID 123254366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).