[(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene

C20H22 — CID 59892266

IUPAC[(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene
SMILESCCC(C)/C=C(/C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H22/c1-3-17(2)16-20(19-12-8-5-9-13-19)15-14-18-10-6-4-7-11-18/h4-17H,3H2,1-2H3/b15-14?,20-16-
InChIKeyINHPUKYXXGYDJE-BPHFFEORSA-N
MW262.40 g/mol
LogP5.83
Rot. Bonds5

About [(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene

[(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene (PubChem CID 59892266) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is [(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene.

Molecular Properties

Compound Name[(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene
PubChem CID59892266
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name[(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene
SMILESCCC(C)/C=C(/C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H22/c1-3-17(2)16-20(19-12-8-5-9-13-19)15-14-18-10-6-4-7-11-18/h4-17H,3H2,1-2H3/b15-14?,20-16-
InChIKeyINHPUKYXXGYDJE-BPHFFEORSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.83
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

[(3Z,5E)-7-methyl-5-phenylnona-1,3,5-trien-2-yl]boronic acid
CID 145266644
4-methylhex-2-en-2-ylbenzene
CID 76543432
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
N-[4-(3,4-diphenylbuta-1,3-dienyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54320320
methyl (2E,4E)-3,5-diphenylpenta-2,4-dienoate
CID 134940944
(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene
CID 163750701
1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene
CID 54123329
(4E,6Z)-1,5,7-triphenylhepta-4,6-diene-1,3-dione
CID 98547990
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
ethanol;3-phenylprop-2-enoic acid
CID 158830805
(Z)-5-methyl-1-phenylhex-1-en-3-one
CID 92529574

Frequently Asked Questions

What is the IUPAC name of [(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene?
The IUPAC name of [(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene (CID 59892266) is [(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene.
What is the SMILES notation for [(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene?
The canonical SMILES for [(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene is CCC(C)/C=C(/C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene?
The InChIKey is INHPUKYXXGYDJE-BPHFFEORSA-N. The full InChI is InChI=1S/C20H22/c1-3-17(2)16-20(19-12-8-5-9-13-19)15-14-18-10-6-4-7-11-18/h4-17H,3H2,1-2H3/b15-14?,20-16-.
What are the key properties of [(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene?
[(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene has a molecular weight of 262.40 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene is sourced from PubChem (CID 59892266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).