1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene

C20H18 — CID 141424828

IUPAC1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene
SMILESCC1=CC=CCC1=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18/c1-16-7-5-6-10-20(16)15-17-11-13-19(14-12-17)18-8-3-2-4-9-18/h2-9,11-15H,10H2,1H3
InChIKeyWONPENWEQCEGPS-UHFFFAOYSA-N
MW258.36 g/mol
LogP5.64
Rot. Bonds2

About 1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene

1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene (PubChem CID 141424828) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene
PubChem CID141424828
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene
SMILESCC1=CC=CCC1=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18/c1-16-7-5-6-10-20(16)15-17-11-13-19(14-12-17)18-8-3-2-4-9-18/h2-9,11-15H,10H2,1H3
InChIKeyWONPENWEQCEGPS-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.36
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene?
The IUPAC name of 1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene (CID 141424828) is 1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene.
What is the SMILES notation for 1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene?
The canonical SMILES for 1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene is CC1=CC=CCC1=Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene?
The InChIKey is WONPENWEQCEGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18/c1-16-7-5-6-10-20(16)15-17-11-13-19(14-12-17)18-8-3-2-4-9-18/h2-9,11-15H,10H2,1H3.
What are the key properties of 1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene?
1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene has a molecular weight of 258.36 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene is sourced from PubChem (CID 141424828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).