2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene

C20H14 — CID 102390272

IUPAC2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene
SMILESC(#Cc1ccc2ccccc2c1)/C=C/c1ccccc1
InChIInChI=1S/C20H14/c1-2-8-17(9-3-1)10-4-5-11-18-14-15-19-12-6-7-13-20(19)16-18/h1-4,6-10,12-16H/b10-4+
InChIKeyDXLGCVBOWFWYEL-ONNFQVAWSA-N
MW254.33 g/mol
LogP4.90
Rot. Bonds1

About 2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene

2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene (PubChem CID 102390272) has the molecular formula C20H14 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene
PubChem CID102390272
Molecular FormulaC20H14
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Name2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene
SMILESC(#Cc1ccc2ccccc2c1)/C=C/c1ccccc1
InChIInChI=1S/C20H14/c1-2-8-17(9-3-1)10-4-5-11-18-14-15-19-12-6-7-13-20(19)16-18/h1-4,6-10,12-16H/b10-4+
InChIKeyDXLGCVBOWFWYEL-ONNFQVAWSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene?
The IUPAC name of 2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene (CID 102390272) is 2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene.
What is the SMILES notation for 2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene?
The canonical SMILES for 2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene is C(#Cc1ccc2ccccc2c1)/C=C/c1ccccc1.
What is the InChIKey of 2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene?
The InChIKey is DXLGCVBOWFWYEL-ONNFQVAWSA-N. The full InChI is InChI=1S/C20H14/c1-2-8-17(9-3-1)10-4-5-11-18-14-15-19-12-6-7-13-20(19)16-18/h1-4,6-10,12-16H/b10-4+.
What are the key properties of 2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene?
2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene has a molecular weight of 254.33 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene is sourced from PubChem (CID 102390272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).