1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene

C19H20 — CID 147064601

IUPAC1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene
SMILESC=CC(/C=C\c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H20/c1-4-18(19-12-7-16(3)8-13-19)14-11-17-9-5-15(2)6-10-17/h4-14,18H,1H2,2-3H3/b14-11-
InChIKeyBDVDQZCFGUSDNO-KAMYIIQDSA-N
MW248.37 g/mol
LogP5.29
Rot. Bonds4

About 1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene

1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene (PubChem CID 147064601) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene
PubChem CID147064601
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene
SMILESC=CC(/C=C\c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H20/c1-4-18(19-12-7-16(3)8-13-19)14-11-17-9-5-15(2)6-10-17/h4-14,18H,1H2,2-3H3/b14-11-
InChIKeyBDVDQZCFGUSDNO-KAMYIIQDSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene?
The IUPAC name of 1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene (CID 147064601) is 1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene.
What is the SMILES notation for 1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene?
The canonical SMILES for 1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene is C=CC(/C=C\c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene?
The InChIKey is BDVDQZCFGUSDNO-KAMYIIQDSA-N. The full InChI is InChI=1S/C19H20/c1-4-18(19-12-7-16(3)8-13-19)14-11-17-9-5-15(2)6-10-17/h4-14,18H,1H2,2-3H3/b14-11-.
What are the key properties of 1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene?
1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene has a molecular weight of 248.37 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene is sourced from PubChem (CID 147064601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).