(1-cyclopropyl-3-methyl-5-phenylpenta-1,2-dienyl)benzene

C21H22 — CID 132598196

IUPAC(1-cyclopropyl-3-methyl-5-phenylpenta-1,2-dienyl)benzene
SMILESCC(=C=C(c1ccccc1)C1CC1)CCc1ccccc1
InChIInChI=1S/C21H22/c1-17(12-13-18-8-4-2-5-9-18)16-21(20-14-15-20)19-10-6-3-7-11-19/h2-11,20H,12-15H2,1H3
InChIKeyUZGZCDKTKDGVAK-UHFFFAOYSA-N
MW274.41 g/mol
LogP5.66
Rot. Bonds5

About (1-cyclopropyl-3-methyl-5-phenylpenta-1,2-dienyl)benzene

(1-cyclopropyl-3-methyl-5-phenylpenta-1,2-dienyl)benzene (PubChem CID 132598196) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is (1-cyclopropyl-3-methyl-5-phenylpenta-1,2-dienyl)benzene.

Molecular Properties

Compound Name(1-cyclopropyl-3-methyl-5-phenylpenta-1,2-dienyl)benzene
PubChem CID132598196
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name(1-cyclopropyl-3-methyl-5-phenylpenta-1,2-dienyl)benzene
SMILESCC(=C=C(c1ccccc1)C1CC1)CCc1ccccc1
InChIInChI=1S/C21H22/c1-17(12-13-18-8-4-2-5-9-18)16-21(20-14-15-20)19-10-6-3-7-11-19/h2-11,20H,12-15H2,1H3
InChIKeyUZGZCDKTKDGVAK-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1-cyclopropyl-3-methyl-5-phenylpenta-1,2-dienyl)benzene 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-cyclopropyl-3-phenylpropan-1-one
CID 24725607
[(4E)-1-cyclohexyl-3-methylhexa-1,2,4-trienyl]benzene
CID 53467222
1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one
CID 64739627
[2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate
CID 91695251
3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene
CID 157174978
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
(Z)-N-[(E)-1,3-diphenylpropylideneamino]-1,3-diphenylpropan-1-imine
CID 6370993
[4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate
CID 134843861
[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl] acetate
CID 122691367
1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one
CID 158871162
(E,3R)-1,5-diphenylhex-4-en-3-ol
CID 15635013
1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one
CID 107003801

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-3-methyl-5-phenylpenta-1,2-dienyl)benzene?
The IUPAC name of (1-cyclopropyl-3-methyl-5-phenylpenta-1,2-dienyl)benzene (CID 132598196) is (1-cyclopropyl-3-methyl-5-phenylpenta-1,2-dienyl)benzene.
What is the SMILES notation for (1-cyclopropyl-3-methyl-5-phenylpenta-1,2-dienyl)benzene?
The canonical SMILES for (1-cyclopropyl-3-methyl-5-phenylpenta-1,2-dienyl)benzene is CC(=C=C(c1ccccc1)C1CC1)CCc1ccccc1.
What is the InChIKey of (1-cyclopropyl-3-methyl-5-phenylpenta-1,2-dienyl)benzene?
The InChIKey is UZGZCDKTKDGVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/c1-17(12-13-18-8-4-2-5-9-18)16-21(20-14-15-20)19-10-6-3-7-11-19/h2-11,20H,12-15H2,1H3.
What are the key properties of (1-cyclopropyl-3-methyl-5-phenylpenta-1,2-dienyl)benzene?
(1-cyclopropyl-3-methyl-5-phenylpenta-1,2-dienyl)benzene has a molecular weight of 274.41 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-3-methyl-5-phenylpenta-1,2-dienyl)benzene is sourced from PubChem (CID 132598196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).