1-methyl-4-[1-(4-methylphenyl)ethenyl]cyclohexa-1,2,3,5-tetraene

C16H14 — CID 58049615

IUPAC1-methyl-4-[1-(4-methylphenyl)ethenyl]cyclohexa-1,2,3,5-tetraene
SMILESC=C(C1=C=C=C(C)C=C1)c1ccc(C)cc1
InChIInChI=1S/C16H14/c1-12-4-8-15(9-5-12)14(3)16-10-6-13(2)7-11-16/h4-6,8-10H,3H2,1-2H3
InChIKeyKZHSHGQOYZTYEF-UHFFFAOYSA-N
MW206.29 g/mol
LogP4.20
Rot. Bonds2

About 1-methyl-4-[1-(4-methylphenyl)ethenyl]cyclohexa-1,2,3,5-tetraene

1-methyl-4-[1-(4-methylphenyl)ethenyl]cyclohexa-1,2,3,5-tetraene (PubChem CID 58049615) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-methyl-4-[1-(4-methylphenyl)ethenyl]cyclohexa-1,2,3,5-tetraene.

Molecular Properties

Compound Name1-methyl-4-[1-(4-methylphenyl)ethenyl]cyclohexa-1,2,3,5-tetraene
PubChem CID58049615
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name1-methyl-4-[1-(4-methylphenyl)ethenyl]cyclohexa-1,2,3,5-tetraene
SMILESC=C(C1=C=C=C(C)C=C1)c1ccc(C)cc1
InChIInChI=1S/C16H14/c1-12-4-8-15(9-5-12)14(3)16-10-6-13(2)7-11-16/h4-6,8-10H,3H2,1-2H3
InChIKeyKZHSHGQOYZTYEF-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 54.20
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-(4-methylphenyl)ethenyl]cyclohexa-1,2,3,5-tetraene?
The IUPAC name of 1-methyl-4-[1-(4-methylphenyl)ethenyl]cyclohexa-1,2,3,5-tetraene (CID 58049615) is 1-methyl-4-[1-(4-methylphenyl)ethenyl]cyclohexa-1,2,3,5-tetraene.
What is the SMILES notation for 1-methyl-4-[1-(4-methylphenyl)ethenyl]cyclohexa-1,2,3,5-tetraene?
The canonical SMILES for 1-methyl-4-[1-(4-methylphenyl)ethenyl]cyclohexa-1,2,3,5-tetraene is C=C(C1=C=C=C(C)C=C1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[1-(4-methylphenyl)ethenyl]cyclohexa-1,2,3,5-tetraene?
The InChIKey is KZHSHGQOYZTYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-12-4-8-15(9-5-12)14(3)16-10-6-13(2)7-11-16/h4-6,8-10H,3H2,1-2H3.
What are the key properties of 1-methyl-4-[1-(4-methylphenyl)ethenyl]cyclohexa-1,2,3,5-tetraene?
1-methyl-4-[1-(4-methylphenyl)ethenyl]cyclohexa-1,2,3,5-tetraene has a molecular weight of 206.29 g/mol, XLogP of 4.20, 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-(4-methylphenyl)ethenyl]cyclohexa-1,2,3,5-tetraene is sourced from PubChem (CID 58049615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).