4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile

C11H11NO2 — CID 170799520

IUPAC4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile
SMILESCOc1ccc(O)c(C=CCC#N)c1
InChIInChI=1S/C11H11NO2/c1-14-10-5-6-11(13)9(8-10)4-2-3-7-12/h2,4-6,8,13H,3H2,1H3
InChIKeyNGPNWZSIOXCIPY-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.33
Rot. Bonds3

About 4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile

4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile (PubChem CID 170799520) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile.

Molecular Properties

Compound Name4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile
PubChem CID170799520
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile
SMILESCOc1ccc(O)c(C=CCC#N)c1
InChIInChI=1S/C11H11NO2/c1-14-10-5-6-11(13)9(8-10)4-2-3-7-12/h2,4-6,8,13H,3H2,1H3
InChIKeyNGPNWZSIOXCIPY-UHFFFAOYSA-N
XLogP2.33
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-hydroxyprop-1-enyl)-4-methoxyphenol
CID 169453185
4-(5-methoxy-2-nitrophenyl)but-3-enenitrile
CID 170800807
2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol
CID 59969522
2-[(2-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile
CID 45091628
3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid
CID 170800016
S-[3-(2-hydroxy-5-methoxyphenyl)prop-2-enyl] ethanethioate
CID 169457045
4-(2-hydroxy-5-methoxyphenyl)but-3-en-2-one
CID 67020173
4-(2-formyl-4-hydroxy-5-methoxyphenyl)but-3-enenitrile
CID 170800253
4-methoxy-2-propa-1,2-dienylphenol
CID 90735568
(E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enamide
CID 55266805
ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 12536283
ethyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 85440976

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile?
The IUPAC name of 4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile (CID 170799520) is 4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile.
What is the SMILES notation for 4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile?
The canonical SMILES for 4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile is COc1ccc(O)c(C=CCC#N)c1.
What is the InChIKey of 4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile?
The InChIKey is NGPNWZSIOXCIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-14-10-5-6-11(13)9(8-10)4-2-3-7-12/h2,4-6,8,13H,3H2,1H3.
What are the key properties of 4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile?
4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile has a molecular weight of 189.21 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile is sourced from PubChem (CID 170799520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).