1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane

C22H28 — CID 144938549

IUPAC1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
SMILESC1=CCCC(c2cccc(-c3ccccc3)c2)=C1.CC.CC
InChIInChI=1S/C18H16.2C2H6/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;2*1-2/h1-5,7-10,12-14H,6,11H2;2*1-2H3
InChIKeyFHRFVPVDGXXFAC-UHFFFAOYSA-N
MW292.47 g/mol
LogP7.14
Rot. Bonds2

About 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane

1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane (PubChem CID 144938549) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
PubChem CID144938549
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
SMILESC1=CCCC(c2cccc(-c3ccccc3)c2)=C1.CC.CC
InChIInChI=1S/C18H16.2C2H6/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;2*1-2/h1-5,7-10,12-14H,6,11H2;2*1-2H3
InChIKeyFHRFVPVDGXXFAC-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane (CID 144938549) is 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane is C1=CCCC(c2cccc(-c3ccccc3)c2)=C1.CC.CC.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane?
The InChIKey is FHRFVPVDGXXFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.2C2H6/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;2*1-2/h1-5,7-10,12-14H,6,11H2;2*1-2H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane?
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane has a molecular weight of 292.47 g/mol, XLogP of 7.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane is sourced from PubChem (CID 144938549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).