1-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-2-phenylbenzene

C20H20 — CID 162686705

IUPAC1-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-2-phenylbenzene
SMILESCc1ccc(C2(C)C=CC=CC2)cc1-c1ccccc1
InChIInChI=1S/C20H20/c1-16-11-12-18(20(2)13-7-4-8-14-20)15-19(16)17-9-5-3-6-10-17/h3-13,15H,14H2,1-2H3
InChIKeyIJVICFRYKFREHV-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.44
Rot. Bonds2

About 1-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-2-phenylbenzene

1-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-2-phenylbenzene (PubChem CID 162686705) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-2-phenylbenzene.

Molecular Properties

Compound Name1-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-2-phenylbenzene
PubChem CID162686705
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name1-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-2-phenylbenzene
SMILESCc1ccc(C2(C)C=CC=CC2)cc1-c1ccccc1
InChIInChI=1S/C20H20/c1-16-11-12-18(20(2)13-7-4-8-14-20)15-19(16)17-9-5-3-6-10-17/h3-13,15H,14H2,1-2H3
InChIKeyIJVICFRYKFREHV-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-2-phenylbenzene?
The IUPAC name of 1-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-2-phenylbenzene (CID 162686705) is 1-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-2-phenylbenzene.
What is the SMILES notation for 1-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-2-phenylbenzene?
The canonical SMILES for 1-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-2-phenylbenzene is Cc1ccc(C2(C)C=CC=CC2)cc1-c1ccccc1.
What is the InChIKey of 1-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-2-phenylbenzene?
The InChIKey is IJVICFRYKFREHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-16-11-12-18(20(2)13-7-4-8-14-20)15-19(16)17-9-5-3-6-10-17/h3-13,15H,14H2,1-2H3.
What are the key properties of 1-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-2-phenylbenzene?
1-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-2-phenylbenzene has a molecular weight of 260.38 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-2-phenylbenzene is sourced from PubChem (CID 162686705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).