(4-phenylcyclohexa-2,5-dien-1-yl)benzene

C18H16 — CID 5248482

IUPAC(4-phenylcyclohexa-2,5-dien-1-yl)benzene
SMILESC1=CC(c2ccccc2)C=CC1c1ccccc1
InChIInChI=1S/C18H16/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14,17-18H
InChIKeyKOGDDLXHNRVQKL-UHFFFAOYSA-N
MW232.33 g/mol
LogP4.68
Rot. Bonds2

About (4-phenylcyclohexa-2,5-dien-1-yl)benzene

(4-phenylcyclohexa-2,5-dien-1-yl)benzene (PubChem CID 5248482) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is (4-phenylcyclohexa-2,5-dien-1-yl)benzene.

Molecular Properties

Compound Name(4-phenylcyclohexa-2,5-dien-1-yl)benzene
PubChem CID5248482
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name(4-phenylcyclohexa-2,5-dien-1-yl)benzene
SMILESC1=CC(c2ccccc2)C=CC1c1ccccc1
InChIInChI=1S/C18H16/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14,17-18H
InChIKeyKOGDDLXHNRVQKL-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclopenta-2,4-dien-1-ylbenzene
CID 10917557
N,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine
CID 173163719
3,3-diiodo-6-phenylcyclohexa-1,4-diene
CID 18000337
3,3-dibromo-6-phenylcyclohexa-1,4-diene
CID 67389672
3,3-dimethyl-6-phenylcyclohexa-1,4-diene
CID 22450605
2-phenyl-2H-indene
CID 24940237
3-chloro-3-ethenyl-6-phenylcyclohexa-1,4-diene
CID 70019040
(3-phenylcyclopenta-1,4-dien-1-yl)benzene
CID 15799127
diphenyliodanium;hydroiodide
CID 54604341
5-phenylcyclohepta-1,3,6-triene-1-carbaldehyde
CID 142196065
3-ethyl-3-methoxy-6-phenylcyclohexa-1,4-diene
CID 173009151
3-(difluoromethyl)-3-ethyl-6-phenylcyclohexa-1,4-diene
CID 23205704

Frequently Asked Questions

What is the IUPAC name of (4-phenylcyclohexa-2,5-dien-1-yl)benzene?
The IUPAC name of (4-phenylcyclohexa-2,5-dien-1-yl)benzene (CID 5248482) is (4-phenylcyclohexa-2,5-dien-1-yl)benzene.
What is the SMILES notation for (4-phenylcyclohexa-2,5-dien-1-yl)benzene?
The canonical SMILES for (4-phenylcyclohexa-2,5-dien-1-yl)benzene is C1=CC(c2ccccc2)C=CC1c1ccccc1.
What is the InChIKey of (4-phenylcyclohexa-2,5-dien-1-yl)benzene?
The InChIKey is KOGDDLXHNRVQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14,17-18H.
What are the key properties of (4-phenylcyclohexa-2,5-dien-1-yl)benzene?
(4-phenylcyclohexa-2,5-dien-1-yl)benzene has a molecular weight of 232.33 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylcyclohexa-2,5-dien-1-yl)benzene is sourced from PubChem (CID 5248482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).