(E)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile

C12H13NO2 — CID 14221080

IUPAC(E)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile
SMILESCOCOC/C=C(/C#N)c1ccccc1
InChIInChI=1S/C12H13NO2/c1-14-10-15-8-7-12(9-13)11-5-3-2-4-6-11/h2-7H,8,10H2,1H3/b12-7-
InChIKeyOVXUKISSBLGQBC-GHXNOFRVSA-N
MW203.24 g/mol
LogP2.21
Rot. Bonds5

About (E)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile

(E)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile (PubChem CID 14221080) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (E)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile.

Molecular Properties

Compound Name(E)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile
PubChem CID14221080
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(E)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile
SMILESCOCOC/C=C(/C#N)c1ccccc1
InChIInChI=1S/C12H13NO2/c1-14-10-15-8-7-12(9-13)11-5-3-2-4-6-11/h2-7H,8,10H2,1H3/b12-7-
InChIKeyOVXUKISSBLGQBC-GHXNOFRVSA-N
XLogP2.21
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-phenylhex-2-enenitrile
CID 5463415
(Z)-2-phenyl-3-sulfanylprop-2-enenitrile
CID 134999873
2,5-diphenylhex-2-enedinitrile
CID 67423079
4-oxo-2-phenylpent-2-enenitrile
CID 91279412
tert-butyl-[(E)-5-methoxy-3-phenylpent-3-en-1-ynyl]-dimethylsilane
CID 102296201
[(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene
CID 11572215
(E)-4-methoxy-3-phenylbut-2-enenitrile
CID 103465888
(E)-2-[3-[(Z)-3-cyano-3-phenylprop-2-enyl]phenyl]-3-methylbut-2-enedinitrile
CID 154933396
(Z)-3-(4-methoxyphenyl)sulfanyl-2-phenylprop-2-enenitrile
CID 101045592
ethyl 5-cyano-2-(dimethylamino)-5-phenylpenta-2,4-dienoate
CID 54027283
(Z)-4-methoxy-4-phenylbut-3-enenitrile
CID 13065937
(Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile
CID 177424330

Frequently Asked Questions

What is the IUPAC name of (E)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile?
The IUPAC name of (E)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile (CID 14221080) is (E)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile.
What is the SMILES notation for (E)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile?
The canonical SMILES for (E)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile is COCOC/C=C(/C#N)c1ccccc1.
What is the InChIKey of (E)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile?
The InChIKey is OVXUKISSBLGQBC-GHXNOFRVSA-N. The full InChI is InChI=1S/C12H13NO2/c1-14-10-15-8-7-12(9-13)11-5-3-2-4-6-11/h2-7H,8,10H2,1H3/b12-7-.
What are the key properties of (E)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile?
(E)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile has a molecular weight of 203.24 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile is sourced from PubChem (CID 14221080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).