1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene

C18H18 — CID 22151876

IUPAC1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene
SMILESC=C(C(=C)c1ccccc1CC)c1ccccc1
InChIInChI=1S/C18H18/c1-4-16-10-8-9-13-18(16)15(3)14(2)17-11-6-5-7-12-17/h5-13H,2-4H2,1H3
InChIKeyUIVQDSCNOQIADX-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.98
Rot. Bonds4

About 1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene

1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene (PubChem CID 22151876) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene.

Molecular Properties

Compound Name1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene
PubChem CID22151876
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene
SMILESC=C(C(=C)c1ccccc1CC)c1ccccc1
InChIInChI=1S/C18H18/c1-4-16-10-8-9-13-18(16)15(3)14(2)17-11-6-5-7-12-17/h5-13H,2-4H2,1H3
InChIKeyUIVQDSCNOQIADX-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-ethylbenzoic acid;tungsten
CID 23518478
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
1,2-diethyl-3-(1-phenylethenyl)benzene
CID 18968379
1-ethyl-2-(2-phenylprop-2-enyl)benzene
CID 18968382
1-(2-ethylphenyl)-1-phenylbut-1-en-2-ol
CID 174845761
1-ethyl-2-pent-1-en-2-ylbenzene
CID 173350978
CID 174739089
CID 174739089
2-(2-ethylphenyl)-2-oxoacetic acid;hydrate
CID 174608087
diphenylmethanone;(2-ethylbenzoyl)phosphonic acid
CID 175203276
3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene
CID 143250660
1,2-diethylbenzene;2-methylidenepropanedioic acid
CID 174498870
carbonic acid;1,2-diethylbenzene
CID 89388803

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene?
The IUPAC name of 1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene (CID 22151876) is 1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene.
What is the SMILES notation for 1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene?
The canonical SMILES for 1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene is C=C(C(=C)c1ccccc1CC)c1ccccc1.
What is the InChIKey of 1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene?
The InChIKey is UIVQDSCNOQIADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-4-16-10-8-9-13-18(16)15(3)14(2)17-11-6-5-7-12-17/h5-13H,2-4H2,1H3.
What are the key properties of 1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene?
1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene has a molecular weight of 234.34 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene is sourced from PubChem (CID 22151876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).