[(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene

C19H20 — CID 177384846

IUPAC[(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene
SMILESC=C(C)CC/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20/c1-16(2)13-14-19(18-11-7-4-8-12-18)15-17-9-5-3-6-10-17/h3-12,15H,1,13-14H2,2H3/b19-15-
InChIKeyVFKURRROTIZZTG-CYVLTUHYSA-N
MW248.37 g/mol
LogP5.58
Rot. Bonds5

About [(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene

[(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene (PubChem CID 177384846) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is [(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene.

Molecular Properties

Compound Name[(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene
PubChem CID177384846
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name[(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene
SMILESC=C(C)CC/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20/c1-16(2)13-14-19(18-11-7-4-8-12-18)15-17-9-5-3-6-10-17/h3-12,15H,1,13-14H2,2H3/b19-15-
InChIKeyVFKURRROTIZZTG-CYVLTUHYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-bromo-4-[(1Z,6Z)-7-(4-bromophenyl)-2,6-diphenylhepta-1,6-dienyl]benzene
CID 101013816
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CID 72736917
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5-methyl-2-methylidene-6-phenylhex-5-enoic acid
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1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene
CID 152586200
N-[(E)-2,3-diphenylprop-2-enyl]-N-methylformamide
CID 101473048
[(1E)-3-fluoro-2-methylbuta-1,3-dienyl]benzene
CID 12586000
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CID 101023407

Frequently Asked Questions

What is the IUPAC name of [(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene?
The IUPAC name of [(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene (CID 177384846) is [(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene.
What is the SMILES notation for [(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene?
The canonical SMILES for [(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene is C=C(C)CC/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene?
The InChIKey is VFKURRROTIZZTG-CYVLTUHYSA-N. The full InChI is InChI=1S/C19H20/c1-16(2)13-14-19(18-11-7-4-8-12-18)15-17-9-5-3-6-10-17/h3-12,15H,1,13-14H2,2H3/b19-15-.
What are the key properties of [(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene?
[(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene has a molecular weight of 248.37 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene is sourced from PubChem (CID 177384846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).