(2-methyl-3-methylidene-1-phenylpent-1-en-4-ynyl)benzene

C19H16 — CID 101365424

IUPAC(2-methyl-3-methylidene-1-phenylpent-1-en-4-ynyl)benzene
SMILESC#CC(=C)C(C)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16/c1-4-15(2)16(3)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h1,5-14H,2H2,3H3
InChIKeyVEUYYPRFDHVLAH-UHFFFAOYSA-N
MW244.34 g/mol
LogP4.70
Rot. Bonds3

About (2-methyl-3-methylidene-1-phenylpent-1-en-4-ynyl)benzene

(2-methyl-3-methylidene-1-phenylpent-1-en-4-ynyl)benzene (PubChem CID 101365424) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is (2-methyl-3-methylidene-1-phenylpent-1-en-4-ynyl)benzene.

Molecular Properties

Compound Name(2-methyl-3-methylidene-1-phenylpent-1-en-4-ynyl)benzene
PubChem CID101365424
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Name(2-methyl-3-methylidene-1-phenylpent-1-en-4-ynyl)benzene
SMILESC#CC(=C)C(C)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16/c1-4-15(2)16(3)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h1,5-14H,2H2,3H3
InChIKeyVEUYYPRFDHVLAH-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-methylidene-1-phenylpent-1-en-4-ynyl)benzene?
The IUPAC name of (2-methyl-3-methylidene-1-phenylpent-1-en-4-ynyl)benzene (CID 101365424) is (2-methyl-3-methylidene-1-phenylpent-1-en-4-ynyl)benzene.
What is the SMILES notation for (2-methyl-3-methylidene-1-phenylpent-1-en-4-ynyl)benzene?
The canonical SMILES for (2-methyl-3-methylidene-1-phenylpent-1-en-4-ynyl)benzene is C#CC(=C)C(C)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-methyl-3-methylidene-1-phenylpent-1-en-4-ynyl)benzene?
The InChIKey is VEUYYPRFDHVLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16/c1-4-15(2)16(3)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h1,5-14H,2H2,3H3.
What are the key properties of (2-methyl-3-methylidene-1-phenylpent-1-en-4-ynyl)benzene?
(2-methyl-3-methylidene-1-phenylpent-1-en-4-ynyl)benzene has a molecular weight of 244.34 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-methylidene-1-phenylpent-1-en-4-ynyl)benzene is sourced from PubChem (CID 101365424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).