(E)-3-methoxy-2-(4-phenylphenyl)pent-2-enenitrile

C18H17NO — CID 11021724

IUPAC(E)-3-methoxy-2-(4-phenylphenyl)pent-2-enenitrile
SMILESCC/C(OC)=C(\C#N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H17NO/c1-3-18(20-2)17(13-19)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3/b18-17-
InChIKeyWMWBAAWJADHBKT-ZCXUNETKSA-N
MW263.34 g/mol
LogP4.64
Rot. Bonds4

About (E)-3-methoxy-2-(4-phenylphenyl)pent-2-enenitrile

(E)-3-methoxy-2-(4-phenylphenyl)pent-2-enenitrile (PubChem CID 11021724) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (E)-3-methoxy-2-(4-phenylphenyl)pent-2-enenitrile.

Molecular Properties

Compound Name(E)-3-methoxy-2-(4-phenylphenyl)pent-2-enenitrile
PubChem CID11021724
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(E)-3-methoxy-2-(4-phenylphenyl)pent-2-enenitrile
SMILESCC/C(OC)=C(\C#N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H17NO/c1-3-18(20-2)17(13-19)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3/b18-17-
InChIKeyWMWBAAWJADHBKT-ZCXUNETKSA-N
XLogP4.64
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-methoxy-2,6-diphenylhex-2-enenitrile
CID 129407853
(E)-2,3-bis[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]but-2-enedinitrile
CID 102194233
(E)-2-(4-methylphenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]but-2-enedinitrile
CID 134194684
(E)-2-(4-methylphenyl)-3-phenylbut-2-enedinitrile
CID 14025140
N-methoxy-1-(4-phenylphenyl)ethenamine
CID 57139262
2-(4-phenylbenzoyl)butanenitrile
CID 116923686
N-[1-(4-phenylphenyl)ethenyl]propan-1-amine
CID 143032131
(E)-2-(4-chlorophenyl)-3-(2-methylpropoxy)pent-2-enenitrile
CID 44719372
(Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile
CID 177384504
(E)-2-phenyl-3-(propylamino)but-2-enenitrile
CID 56652832
1,1'-biphenyl;2-methylidenepropanedinitrile
CID 87130284
3-chloro-3-(4-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 54258462

Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxy-2-(4-phenylphenyl)pent-2-enenitrile?
The IUPAC name of (E)-3-methoxy-2-(4-phenylphenyl)pent-2-enenitrile (CID 11021724) is (E)-3-methoxy-2-(4-phenylphenyl)pent-2-enenitrile.
What is the SMILES notation for (E)-3-methoxy-2-(4-phenylphenyl)pent-2-enenitrile?
The canonical SMILES for (E)-3-methoxy-2-(4-phenylphenyl)pent-2-enenitrile is CC/C(OC)=C(\C#N)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-3-methoxy-2-(4-phenylphenyl)pent-2-enenitrile?
The InChIKey is WMWBAAWJADHBKT-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H17NO/c1-3-18(20-2)17(13-19)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3/b18-17-.
What are the key properties of (E)-3-methoxy-2-(4-phenylphenyl)pent-2-enenitrile?
(E)-3-methoxy-2-(4-phenylphenyl)pent-2-enenitrile has a molecular weight of 263.34 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxy-2-(4-phenylphenyl)pent-2-enenitrile is sourced from PubChem (CID 11021724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).