1-buta-2,3-dien-2-yl-2-phenylbenzene

C16H14 — CID 177461787

IUPAC1-buta-2,3-dien-2-yl-2-phenylbenzene
SMILESC=C=C(C)c1ccccc1-c1ccccc1
InChIInChI=1S/C16H14/c1-3-13(2)15-11-7-8-12-16(15)14-9-5-4-6-10-14/h4-12H,1H2,2H3
InChIKeyFWIMVPKSIYPCDH-UHFFFAOYSA-N
MW206.29 g/mol
LogP4.54
Rot. Bonds2

About 1-buta-2,3-dien-2-yl-2-phenylbenzene

1-buta-2,3-dien-2-yl-2-phenylbenzene (PubChem CID 177461787) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-buta-2,3-dien-2-yl-2-phenylbenzene.

Molecular Properties

Compound Name1-buta-2,3-dien-2-yl-2-phenylbenzene
PubChem CID177461787
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name1-buta-2,3-dien-2-yl-2-phenylbenzene
SMILESC=C=C(C)c1ccccc1-c1ccccc1
InChIInChI=1S/C16H14/c1-3-13(2)15-11-7-8-12-16(15)14-9-5-4-6-10-14/h4-12H,1H2,2H3
InChIKeyFWIMVPKSIYPCDH-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-bromobuta-2,3-dien-2-yl)-2-phenylbenzene
CID 88812919
1-buta-2,3-dien-2-yl-2-chlorobenzene
CID 154718725
1,2-diphenyl-3-prop-1-en-2-ylbenzene
CID 142394581
2-phenyl-6-prop-1-en-2-ylphenol
CID 154380547
1-(1-azulen-1-ylethenyl)azulene
CID 21389906
1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene
CID 102364052
[amino-(2-phenylphenyl)methylidene]azanium
CID 6346948
acetylene;2-phenylbenzoic acid
CID 67726329
(Z)-3-oxo-1-(2-phenylphenyl)but-1-en-1-olate
CID 134115873
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
N'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide
CID 138636529
1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one
CID 154384434

Frequently Asked Questions

What is the IUPAC name of 1-buta-2,3-dien-2-yl-2-phenylbenzene?
The IUPAC name of 1-buta-2,3-dien-2-yl-2-phenylbenzene (CID 177461787) is 1-buta-2,3-dien-2-yl-2-phenylbenzene.
What is the SMILES notation for 1-buta-2,3-dien-2-yl-2-phenylbenzene?
The canonical SMILES for 1-buta-2,3-dien-2-yl-2-phenylbenzene is C=C=C(C)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-buta-2,3-dien-2-yl-2-phenylbenzene?
The InChIKey is FWIMVPKSIYPCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-3-13(2)15-11-7-8-12-16(15)14-9-5-4-6-10-14/h4-12H,1H2,2H3.
What are the key properties of 1-buta-2,3-dien-2-yl-2-phenylbenzene?
1-buta-2,3-dien-2-yl-2-phenylbenzene has a molecular weight of 206.29 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-2,3-dien-2-yl-2-phenylbenzene is sourced from PubChem (CID 177461787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).