5-methyl-1,3-diphenylcyclohexa-1,3-diene

C19H18 — CID 154531936

IUPAC5-methyl-1,3-diphenylcyclohexa-1,3-diene
SMILESCC1C=C(c2ccccc2)C=C(c2ccccc2)C1
InChIInChI=1S/C19H18/c1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17/h2-12,14-15H,13H2,1H3
InChIKeyUYIRGRQMTMNGEV-UHFFFAOYSA-N
MW246.35 g/mol
LogP5.19
Rot. Bonds2

About 5-methyl-1,3-diphenylcyclohexa-1,3-diene

5-methyl-1,3-diphenylcyclohexa-1,3-diene (PubChem CID 154531936) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-methyl-1,3-diphenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methyl-1,3-diphenylcyclohexa-1,3-diene
PubChem CID154531936
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name5-methyl-1,3-diphenylcyclohexa-1,3-diene
SMILESCC1C=C(c2ccccc2)C=C(c2ccccc2)C1
InChIInChI=1S/C19H18/c1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17/h2-12,14-15H,13H2,1H3
InChIKeyUYIRGRQMTMNGEV-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-diphenylcyclohexa-1,3-diene?
The IUPAC name of 5-methyl-1,3-diphenylcyclohexa-1,3-diene (CID 154531936) is 5-methyl-1,3-diphenylcyclohexa-1,3-diene.
What is the SMILES notation for 5-methyl-1,3-diphenylcyclohexa-1,3-diene?
The canonical SMILES for 5-methyl-1,3-diphenylcyclohexa-1,3-diene is CC1C=C(c2ccccc2)C=C(c2ccccc2)C1.
What is the InChIKey of 5-methyl-1,3-diphenylcyclohexa-1,3-diene?
The InChIKey is UYIRGRQMTMNGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17/h2-12,14-15H,13H2,1H3.
What are the key properties of 5-methyl-1,3-diphenylcyclohexa-1,3-diene?
5-methyl-1,3-diphenylcyclohexa-1,3-diene has a molecular weight of 246.35 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-diphenylcyclohexa-1,3-diene is sourced from PubChem (CID 154531936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).