(Z)-3-methoxy-2,6-diphenylhex-2-enenitrile

C19H19NO — CID 129407853

IUPAC(Z)-3-methoxy-2,6-diphenylhex-2-enenitrile
SMILESCO/C(CCCc1ccccc1)=C(\C#N)c1ccccc1
InChIInChI=1S/C19H19NO/c1-21-19(14-8-11-16-9-4-2-5-10-16)18(15-20)17-12-6-3-7-13-17/h2-7,9-10,12-13H,8,11,14H2,1H3/b19-18+
InChIKeyYMKSGUHZCHWSDE-VHEBQXMUSA-N
MW277.37 g/mol
LogP4.59
Rot. Bonds6

About (Z)-3-methoxy-2,6-diphenylhex-2-enenitrile

(Z)-3-methoxy-2,6-diphenylhex-2-enenitrile (PubChem CID 129407853) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (Z)-3-methoxy-2,6-diphenylhex-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-methoxy-2,6-diphenylhex-2-enenitrile
PubChem CID129407853
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(Z)-3-methoxy-2,6-diphenylhex-2-enenitrile
SMILESCO/C(CCCc1ccccc1)=C(\C#N)c1ccccc1
InChIInChI=1S/C19H19NO/c1-21-19(14-8-11-16-9-4-2-5-10-16)18(15-20)17-12-6-3-7-13-17/h2-7,9-10,12-13H,8,11,14H2,1H3/b19-18+
InChIKeyYMKSGUHZCHWSDE-VHEBQXMUSA-N
XLogP4.59
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.59
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

(E)-3-methoxy-2-(4-phenylphenyl)pent-2-enenitrile
CID 11021724
1,4-diphenylbutylidenehafnium(2+)
CID 158566211
2-tert-butyl-3-phenylbut-2-enedinitrile
CID 71319923
methyl 3-oxo-6-phenylhexanoate
CID 12701554
(Z)-3-benzylsulfanyl-3-ethoxy-2-phenylprop-2-enenitrile
CID 135004587
5-phenylpentan-2-one
CID 16701
(E)-2-(4-methylphenyl)-3-phenylbut-2-enedinitrile
CID 14025140
3-anilino-2-phenylbut-2-enenitrile
CID 134837967
N-(2-methylprop-2-enyl)-5-phenylpent-1-en-2-amine
CID 172569226
3-methylbut-3-enenitrile;propylbenzene
CID 142155558
N-(1-cyano-2-methylpropyl)-4-phenylbutanamide
CID 63930626
methyl 2-diazo-5-phenylpentanoate
CID 74317102

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methoxy-2,6-diphenylhex-2-enenitrile?
The IUPAC name of (Z)-3-methoxy-2,6-diphenylhex-2-enenitrile (CID 129407853) is (Z)-3-methoxy-2,6-diphenylhex-2-enenitrile.
What is the SMILES notation for (Z)-3-methoxy-2,6-diphenylhex-2-enenitrile?
The canonical SMILES for (Z)-3-methoxy-2,6-diphenylhex-2-enenitrile is CO/C(CCCc1ccccc1)=C(\C#N)c1ccccc1.
What is the InChIKey of (Z)-3-methoxy-2,6-diphenylhex-2-enenitrile?
The InChIKey is YMKSGUHZCHWSDE-VHEBQXMUSA-N. The full InChI is InChI=1S/C19H19NO/c1-21-19(14-8-11-16-9-4-2-5-10-16)18(15-20)17-12-6-3-7-13-17/h2-7,9-10,12-13H,8,11,14H2,1H3/b19-18+.
What are the key properties of (Z)-3-methoxy-2,6-diphenylhex-2-enenitrile?
(Z)-3-methoxy-2,6-diphenylhex-2-enenitrile has a molecular weight of 277.37 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methoxy-2,6-diphenylhex-2-enenitrile is sourced from PubChem (CID 129407853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).