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

C16H14 — CID 11171770

IUPAC1-methyl-2-(1-phenylpropa-1,2-dienyl)benzene
SMILESC=C=C(c1ccccc1)c1ccccc1C
InChIInChI=1S/C16H14/c1-3-15(14-10-5-4-6-11-14)16-12-8-7-9-13(16)2/h4-12H,1H2,2H3
InChIKeyXXNQZUUHBUOONH-UHFFFAOYSA-N
MW206.29 g/mol
LogP4.21
Rot. Bonds2

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

1-methyl-2-(1-phenylpropa-1,2-dienyl)benzene (PubChem CID 11171770) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-methyl-2-(1-phenylpropa-1,2-dienyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(1-phenylpropa-1,2-dienyl)benzene
PubChem CID11171770
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name1-methyl-2-(1-phenylpropa-1,2-dienyl)benzene
SMILESC=C=C(c1ccccc1)c1ccccc1C
InChIInChI=1S/C16H14/c1-3-15(14-10-5-4-6-11-14)16-12-8-7-9-13(16)2/h4-12H,1H2,2H3
InChIKeyXXNQZUUHBUOONH-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 54442405
1-hex-1-ynyl-2-(1-phenylpropa-1,2-dienyl)benzene
CID 101122268
1-(2-methylphenyl)ethanone;1-phenylethanone
CID 160893925
(NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine
CID 12003652
ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene
CID 143592596
1-[1-(2-methylphenyl)ethenylamino]-3-(1-phenylethenyl)thiourea
CID 138716381
iron;2-methylbenzoic acid
CID 174483135
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
bis(2-methylbenzoic acid);hydrate
CID 69398343
1,3,3-triphenyl(1,2,3-13C3)propa-1,2-dienylbenzene
CID 15621535

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-phenylpropa-1,2-dienyl)benzene?
The IUPAC name of 1-methyl-2-(1-phenylpropa-1,2-dienyl)benzene (CID 11171770) is 1-methyl-2-(1-phenylpropa-1,2-dienyl)benzene.
What is the SMILES notation for 1-methyl-2-(1-phenylpropa-1,2-dienyl)benzene?
The canonical SMILES for 1-methyl-2-(1-phenylpropa-1,2-dienyl)benzene is C=C=C(c1ccccc1)c1ccccc1C.
What is the InChIKey of 1-methyl-2-(1-phenylpropa-1,2-dienyl)benzene?
The InChIKey is XXNQZUUHBUOONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-3-15(14-10-5-4-6-11-14)16-12-8-7-9-13(16)2/h4-12H,1H2,2H3.
What are the key properties of 1-methyl-2-(1-phenylpropa-1,2-dienyl)benzene?
1-methyl-2-(1-phenylpropa-1,2-dienyl)benzene has a molecular weight of 206.29 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-phenylpropa-1,2-dienyl)benzene is sourced from PubChem (CID 11171770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).