2-phenylpenta-2,4-dien-3-ylbenzene

C17H16 — CID 175534652

IUPAC2-phenylpenta-2,4-dien-3-ylbenzene
SMILESC=CC(=C(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16/c1-3-17(16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h3-13H,1H2,2H3
InChIKeyLKGFHVSBKHKJMY-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.80
Rot. Bonds3

About 2-phenylpenta-2,4-dien-3-ylbenzene

2-phenylpenta-2,4-dien-3-ylbenzene (PubChem CID 175534652) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-phenylpenta-2,4-dien-3-ylbenzene.

Molecular Properties

Compound Name2-phenylpenta-2,4-dien-3-ylbenzene
PubChem CID175534652
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name2-phenylpenta-2,4-dien-3-ylbenzene
SMILESC=CC(=C(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16/c1-3-17(16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h3-13H,1H2,2H3
InChIKeyLKGFHVSBKHKJMY-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-phenylpenta-2,4-dien-3-ylbenzene 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

ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]benzene
CID 143435257
2-hydroxy-3-phenylpenta-2,4-dienoic acid
CID 163782499
2-ethenyl-3-phenylbut-2-enenitrile
CID 91598563
[(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene
CID 138972060
4-[4-[(3E,5Z)-5,6-diphenylhepta-1,3,5-trien-3-yl]phenyl]-N-phenylaniline
CID 170214589
3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene
CID 143250660
1-phenylethanone;prop-2-enoic acid
CID 67861534
ethane;3-methylbut-2-en-2-ylbenzene
CID 91173123
1,2-diphenylbuta-1,3-dienylphosphonic acid
CID 175137744
4,4-dimethyl-2-phenylpent-2-en-3-ol
CID 71336376
2-phenylprop-2-enoic acid;prop-2-enoic acid
CID 70022748
4-(4-phenylhexa-1,3,5-trien-3-yl)benzenesulfonic acid
CID 141082862

Frequently Asked Questions

What is the IUPAC name of 2-phenylpenta-2,4-dien-3-ylbenzene?
The IUPAC name of 2-phenylpenta-2,4-dien-3-ylbenzene (CID 175534652) is 2-phenylpenta-2,4-dien-3-ylbenzene.
What is the SMILES notation for 2-phenylpenta-2,4-dien-3-ylbenzene?
The canonical SMILES for 2-phenylpenta-2,4-dien-3-ylbenzene is C=CC(=C(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenylpenta-2,4-dien-3-ylbenzene?
The InChIKey is LKGFHVSBKHKJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-3-17(16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h3-13H,1H2,2H3.
What are the key properties of 2-phenylpenta-2,4-dien-3-ylbenzene?
2-phenylpenta-2,4-dien-3-ylbenzene has a molecular weight of 220.31 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpenta-2,4-dien-3-ylbenzene is sourced from PubChem (CID 175534652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).