[(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]benzene

C20H19+ — CID 123994416

IUPAC[(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]benzene
SMILESCC1C=CC=CC1[C+](c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-16,19H,1H3/q+1
InChIKeyYJKWBSFBWDRYGC-UHFFFAOYSA-N
MW259.37 g/mol
LogP5.04
Rot. Bonds3

About [(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]benzene

[(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]benzene (PubChem CID 123994416) has the molecular formula C20H19+ and a molecular weight of 259.37 g/mol. Its IUPAC name is [(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]benzene.

Molecular Properties

Compound Name[(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]benzene
PubChem CID123994416
Molecular FormulaC20H19+
Molecular Weight259.37 g/mol
Exact Mass259.15
IUPAC Name[(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]benzene
SMILESCC1C=CC=CC1[C+](c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-16,19H,1H3/q+1
InChIKeyYJKWBSFBWDRYGC-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.37
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane
CID 123887097
5,6-dimethylcyclohexa-1,3-diene
CID 564578
cyclopenta-2,4-dien-1-ylbenzene
CID 10917557
2-phenylpropan-2-yl 2-(6-methylcyclohexa-2,4-dien-1-yl)ethanedithioate
CID 123189116
1-(6-methylcyclohexa-2,4-dien-1-yl)-2-(2-phenylethyl)benzene
CID 123947128
1-chloro-2,5-dimethyl-1-phenylsilolane
CID 15205261
1-cyclopenta-2,4-dien-1-yl-2-propan-2-ylideneindene
CID 151756784
2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
CID 144729781
1-benzhydryl-2-methyl-2H-pyridine
CID 100945872
3-(6-methylcyclohexa-2,4-dien-1-yl)-1-phenylprop-2-en-1-one
CID 150975745
(5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene
CID 157468333
diphenylmethylbenzene fluoride
CID 87590605

Frequently Asked Questions

What is the IUPAC name of [(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]benzene?
The IUPAC name of [(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]benzene (CID 123994416) is [(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]benzene.
What is the SMILES notation for [(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]benzene?
The canonical SMILES for [(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]benzene is CC1C=CC=CC1[C+](c1ccccc1)c1ccccc1.
What is the InChIKey of [(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]benzene?
The InChIKey is YJKWBSFBWDRYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-16,19H,1H3/q+1.
What are the key properties of [(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]benzene?
[(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]benzene has a molecular weight of 259.37 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]benzene is sourced from PubChem (CID 123994416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).