2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile

C19H14N2O2 — CID 85101046

IUPAC2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile
SMILESCOc1ccc(C=C(C#N)C(C#N)=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C19H14N2O2/c1-23-19-8-4-15(5-9-19)11-17(13-21)16(12-20)10-14-2-6-18(22)7-3-14/h2-11,22H,1H3
InChIKeyAHAWJPTYIMZDQS-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.91
Rot. Bonds4

About 2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile

2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile (PubChem CID 85101046) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile
PubChem CID85101046
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile
SMILESCOc1ccc(C=C(C#N)C(C#N)=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C19H14N2O2/c1-23-19-8-4-15(5-9-19)11-17(13-21)16(12-20)10-14-2-6-18(22)7-3-14/h2-11,22H,1H3
InChIKeyAHAWJPTYIMZDQS-UHFFFAOYSA-N
XLogP3.91
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(4-methoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 2324707
2-[(4-methoxyphenyl)methylidene]propanedinitrile
CID 2063
(Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 19183442
(2E)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxopentanenitrile
CID 47241601
(Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 5375025
cyanic acid;4-methoxyphenol
CID 172812844
(E)-2-cyano-3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enoic acid
CID 118394379
(E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 6034042
[1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methylazanidylbuta-1,3-dien-2-yl]-methylazanide
CID 163133886
2-[(3,4-dihydroxyphenyl)methylidene]-3-[(4-hydroxyphenyl)methylidene]butanedinitrile
CID 163008841
4-[(E)-2-cyano-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 8828787
(E)-2-(dimethylamino)-3-(4-methoxyphenyl)prop-2-enenitrile
CID 11816521

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile?
The IUPAC name of 2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile (CID 85101046) is 2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile?
The canonical SMILES for 2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile is COc1ccc(C=C(C#N)C(C#N)=Cc2ccc(O)cc2)cc1.
What is the InChIKey of 2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile?
The InChIKey is AHAWJPTYIMZDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-23-19-8-4-15(5-9-19)11-17(13-21)16(12-20)10-14-2-6-18(22)7-3-14/h2-11,22H,1H3.
What are the key properties of 2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile?
2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile has a molecular weight of 302.33 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile is sourced from PubChem (CID 85101046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).