3-(4-hydroxy-2-methoxyphenyl)prop-2-enenitrile

C10H9NO2 — CID 169483334

IUPAC3-(4-hydroxy-2-methoxyphenyl)prop-2-enenitrile
SMILESCOc1cc(O)ccc1C=CC#N
InChIInChI=1S/C10H9NO2/c1-13-10-7-9(12)5-4-8(10)3-2-6-11/h2-5,7,12H,1H3
InChIKeyGOSZPJFYYQMTLF-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.94
Rot. Bonds2

About 3-(4-hydroxy-2-methoxyphenyl)prop-2-enenitrile

3-(4-hydroxy-2-methoxyphenyl)prop-2-enenitrile (PubChem CID 169483334) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-(4-hydroxy-2-methoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name3-(4-hydroxy-2-methoxyphenyl)prop-2-enenitrile
PubChem CID169483334
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-(4-hydroxy-2-methoxyphenyl)prop-2-enenitrile
SMILESCOc1cc(O)ccc1C=CC#N
InChIInChI=1S/C10H9NO2/c1-13-10-7-9(12)5-4-8(10)3-2-6-11/h2-5,7,12H,1H3
InChIKeyGOSZPJFYYQMTLF-UHFFFAOYSA-N
XLogP1.94
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2-methoxyphenyl)prop-2-enenitrile?
The IUPAC name of 3-(4-hydroxy-2-methoxyphenyl)prop-2-enenitrile (CID 169483334) is 3-(4-hydroxy-2-methoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for 3-(4-hydroxy-2-methoxyphenyl)prop-2-enenitrile?
The canonical SMILES for 3-(4-hydroxy-2-methoxyphenyl)prop-2-enenitrile is COc1cc(O)ccc1C=CC#N.
What is the InChIKey of 3-(4-hydroxy-2-methoxyphenyl)prop-2-enenitrile?
The InChIKey is GOSZPJFYYQMTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-13-10-7-9(12)5-4-8(10)3-2-6-11/h2-5,7,12H,1H3.
What are the key properties of 3-(4-hydroxy-2-methoxyphenyl)prop-2-enenitrile?
3-(4-hydroxy-2-methoxyphenyl)prop-2-enenitrile has a molecular weight of 175.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-methoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 169483334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).