1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene

C16H14 — CID 10262404

IUPAC1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene
SMILESCc1ccc(C=C=Cc2ccccc2)cc1
InChIInChI=1S/C16H14/c1-14-10-12-16(13-11-14)9-5-8-15-6-3-2-4-7-15/h2-4,6-13H,1H3
InChIKeyAUTYPJYFPZWZDO-UHFFFAOYSA-N
MW206.29 g/mol
LogP4.32
Rot. Bonds2

About 1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene

1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene (PubChem CID 10262404) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene
PubChem CID10262404
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene
SMILESCc1ccc(C=C=Cc2ccccc2)cc1
InChIInChI=1S/C16H14/c1-14-10-12-16(13-11-14)9-5-8-15-6-3-2-4-7-15/h2-4,6-13H,1H3
InChIKeyAUTYPJYFPZWZDO-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene
CID 10592855
1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene
CID 101460715
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
1-ethenyl-4-methylbenzene;styrene
CID 159659441
1-[4-(3-phenylpropa-1,2-dienyl)phenyl]ethanone
CID 102318435
(S)-isopropyl((R)-3-phenylpropa-1,2-dien-1-yl)(p-tolyl)phosphane borane
CID 164513828
2-(4-methylphenyl)ethenone
CID 12787657
benzene;bis(1,4-xylene)
CID 159472747
3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene
CID 13417814
radon;toluene;1,4-xylene
CID 174747246
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene?
The IUPAC name of 1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene (CID 10262404) is 1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene.
What is the SMILES notation for 1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene?
The canonical SMILES for 1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene is Cc1ccc(C=C=Cc2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene?
The InChIKey is AUTYPJYFPZWZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-14-10-12-16(13-11-14)9-5-8-15-6-3-2-4-7-15/h2-4,6-13H,1H3.
What are the key properties of 1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene?
1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene has a molecular weight of 206.29 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene is sourced from PubChem (CID 10262404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).