1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene

C18H18 — CID 143872310

IUPAC1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene
SMILESC=C/C(=C\CC)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H18/c1-3-9-15(4-2)17-12-8-13-18(14-17)16-10-6-5-7-11-16/h4-14H,2-3H2,1H3/b15-9+
InChIKeyMCJSFWAVDKFXBP-OQLLNIDSSA-N
MW234.34 g/mol
LogP5.33
Rot. Bonds4

About 1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene

1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene (PubChem CID 143872310) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene.

Molecular Properties

Compound Name1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene
PubChem CID143872310
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene
SMILESC=C/C(=C\CC)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H18/c1-3-9-15(4-2)17-12-8-13-18(14-17)16-10-6-5-7-11-16/h4-14H,2-3H2,1H3/b15-9+
InChIKeyMCJSFWAVDKFXBP-OQLLNIDSSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.34
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-deuteriohexa-1,3-dien-3-ylbenzene
CID 175706881
bicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene
CID 23063595
2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]triphenylene
CID 142607186
1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene
CID 145452335
1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine
CID 142394381
ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
CID 145073107
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane
CID 144938526
(2Z)-3-[3-[3-[3-[(3Z)-4-cyanopenta-1,3-dien-3-yl]phenyl]-5-[3-[(3E)-5-cyanopenta-1,3-dien-3-yl]phenyl]phenyl]phenyl]-2-methylpenta-2,4-dienenitrile
CID 144925286
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)
CID 142053995
N-[3-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylaniline
CID 145280393
1-nona-2,4,7-trien-3-yl-3-phenylbenzene
CID 123251128
1-[3-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]phenyl]-3-[3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]phenyl]-5-phenylbenzene
CID 143388720

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene?
The IUPAC name of 1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene (CID 143872310) is 1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene.
What is the SMILES notation for 1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene?
The canonical SMILES for 1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene is C=C/C(=C\CC)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene?
The InChIKey is MCJSFWAVDKFXBP-OQLLNIDSSA-N. The full InChI is InChI=1S/C18H18/c1-3-9-15(4-2)17-12-8-13-18(14-17)16-10-6-5-7-11-16/h4-14H,2-3H2,1H3/b15-9+.
What are the key properties of 1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene?
1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene has a molecular weight of 234.34 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene is sourced from PubChem (CID 143872310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).