methylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane

C13H15P — CID 163826949

IUPACmethylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane
SMILESC=P/C(C)=C/C(=C\C)c1ccccc1
InChIInChI=1S/C13H15P/c1-4-12(10-11(2)14-3)13-8-6-5-7-9-13/h4-10H,3H2,1-2H3/b11-10+,12-4+
InChIKeyOAHJBGXFXQBHMH-QNKFPFBSSA-N
MW202.24 g/mol
LogP4.37
Rot. Bonds3

About methylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane

methylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane (PubChem CID 163826949) has the molecular formula C13H15P and a molecular weight of 202.24 g/mol. Its IUPAC name is methylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane.

Molecular Properties

Compound Namemethylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane
PubChem CID163826949
Molecular FormulaC13H15P
Molecular Weight202.24 g/mol
Exact Mass202.09
IUPAC Namemethylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane
SMILESC=P/C(C)=C/C(=C\C)c1ccccc1
InChIInChI=1S/C13H15P/c1-4-12(10-11(2)14-3)13-8-6-5-7-9-13/h4-10H,3H2,1-2H3/b11-10+,12-4+
InChIKeyOAHJBGXFXQBHMH-QNKFPFBSSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane?
The IUPAC name of methylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane (CID 163826949) is methylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane.
What is the SMILES notation for methylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane?
The canonical SMILES for methylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane is C=P/C(C)=C/C(=C\C)c1ccccc1.
What is the InChIKey of methylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane?
The InChIKey is OAHJBGXFXQBHMH-QNKFPFBSSA-N. The full InChI is InChI=1S/C13H15P/c1-4-12(10-11(2)14-3)13-8-6-5-7-9-13/h4-10H,3H2,1-2H3/b11-10+,12-4+.
What are the key properties of methylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane?
methylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane has a molecular weight of 202.24 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane is sourced from PubChem (CID 163826949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).