(Z)-2-(4-methoxyphenyl)-4-methylhex-2-enenitrile

C14H17NO — CID 129095571

IUPAC(Z)-2-(4-methoxyphenyl)-4-methylhex-2-enenitrile
SMILESCCC(C)/C=C(\C#N)c1ccc(OC)cc1
InChIInChI=1S/C14H17NO/c1-4-11(2)9-13(10-15)12-5-7-14(16-3)8-6-12/h5-9,11H,4H2,1-3H3/b13-9+
InChIKeyKSLPHOWQLWLOMF-UKTHLTGXSA-N
MW215.30 g/mol
LogP3.65
Rot. Bonds4

About (Z)-2-(4-methoxyphenyl)-4-methylhex-2-enenitrile

(Z)-2-(4-methoxyphenyl)-4-methylhex-2-enenitrile (PubChem CID 129095571) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (Z)-2-(4-methoxyphenyl)-4-methylhex-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-methoxyphenyl)-4-methylhex-2-enenitrile
PubChem CID129095571
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(Z)-2-(4-methoxyphenyl)-4-methylhex-2-enenitrile
SMILESCCC(C)/C=C(\C#N)c1ccc(OC)cc1
InChIInChI=1S/C14H17NO/c1-4-11(2)9-13(10-15)12-5-7-14(16-3)8-6-12/h5-9,11H,4H2,1-3H3/b13-9+
InChIKeyKSLPHOWQLWLOMF-UKTHLTGXSA-N
XLogP3.65
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(4-methoxyphenyl)but-2-enedinitrile
CID 101444835
2-(4-methoxyphenyl)but-2-enedinitrile
CID 54310324
diethyl 2-[[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]amino]propanedioate
CID 101342097
(Z)-2-(4-methoxyphenyl)-3-[5-(2-methylpropyl)thiophen-2-yl]prop-2-enenitrile
CID 177492500
2-[1-(4-methoxyphenyl)propylidene]propanedinitrile
CID 82309101
(E)-3-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)prop-2-enenitrile
CID 22302618
(Z)-2-[4-[(Z)-1-cyano-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enenitrile
CID 6005345
[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl] 4-methoxybenzoate
CID 59742607
(Z)-3-(4-methoxyphenyl)sulfanyl-2-phenylprop-2-enenitrile
CID 101045592
(3E)-2,5-bis(4-methoxyphenyl)hexa-1,3,5-triene-1,1,6,6-tetracarbonitrile
CID 102136285
2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile
CID 3317052
(E)-4,4-difluoro-5-(4-methoxyphenyl)-5-oxo-2-phenylpent-2-enenitrile
CID 155774784

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methoxyphenyl)-4-methylhex-2-enenitrile?
The IUPAC name of (Z)-2-(4-methoxyphenyl)-4-methylhex-2-enenitrile (CID 129095571) is (Z)-2-(4-methoxyphenyl)-4-methylhex-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-methoxyphenyl)-4-methylhex-2-enenitrile?
The canonical SMILES for (Z)-2-(4-methoxyphenyl)-4-methylhex-2-enenitrile is CCC(C)/C=C(\C#N)c1ccc(OC)cc1.
What is the InChIKey of (Z)-2-(4-methoxyphenyl)-4-methylhex-2-enenitrile?
The InChIKey is KSLPHOWQLWLOMF-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-11(2)9-13(10-15)12-5-7-14(16-3)8-6-12/h5-9,11H,4H2,1-3H3/b13-9+.
What are the key properties of (Z)-2-(4-methoxyphenyl)-4-methylhex-2-enenitrile?
(Z)-2-(4-methoxyphenyl)-4-methylhex-2-enenitrile has a molecular weight of 215.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methoxyphenyl)-4-methylhex-2-enenitrile is sourced from PubChem (CID 129095571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).