4-hydroxy-3-propoxybenzonitrile

C10H11NO2 — CID 142309388

IUPAC4-hydroxy-3-propoxybenzonitrile
SMILESCCCOc1cc(C#N)ccc1O
InChIInChI=1S/C10H11NO2/c1-2-5-13-10-6-8(7-11)3-4-9(10)12/h3-4,6,12H,2,5H2,1H3
InChIKeyWPVXDUPLDKHJPT-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.05
Rot. Bonds3

About 4-hydroxy-3-propoxybenzonitrile

4-hydroxy-3-propoxybenzonitrile (PubChem CID 142309388) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-hydroxy-3-propoxybenzonitrile.

Molecular Properties

Compound Name4-hydroxy-3-propoxybenzonitrile
PubChem CID142309388
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4-hydroxy-3-propoxybenzonitrile
SMILESCCCOc1cc(C#N)ccc1O
InChIInChI=1S/C10H11NO2/c1-2-5-13-10-6-8(7-11)3-4-9(10)12/h3-4,6,12H,2,5H2,1H3
InChIKeyWPVXDUPLDKHJPT-UHFFFAOYSA-N
XLogP2.05
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-amino-3-propoxyphenoxy)-4-methylbenzonitrile
CID 107655206
3-ethoxy-4-hexoxybenzonitrile
CID 20993567
(2-propoxyphenyl) 3-cyanobenzoate
CID 8697756
4,5-dimethyl-2-propoxyphenol
CID 82053946
3-fluoro-4-nonoxybenzonitrile
CID 107670423
3-bromo-4-octoxybenzonitrile
CID 82797429
5,8-dioxo-6,7-dipropoxynaphthalene-2-carbonitrile
CID 149158683
6,7-didodecoxytriphenylene-2,11-dicarbonitrile
CID 101498904
4-methyl-3-(3-methylbut-3-enoxy)benzonitrile
CID 104922613
methyl 5-cyano-2-hydroxybenzoate;methyl 5-cyano-2-(2-methoxyethoxy)benzoate
CID 68720166
4-[2-(3,4-didodecoxyphenyl)ethynyl]benzonitrile
CID 122400688
4-(3-ethoxypropoxy)-3-methoxybenzonitrile
CID 65175346

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-propoxybenzonitrile?
The IUPAC name of 4-hydroxy-3-propoxybenzonitrile (CID 142309388) is 4-hydroxy-3-propoxybenzonitrile.
What is the SMILES notation for 4-hydroxy-3-propoxybenzonitrile?
The canonical SMILES for 4-hydroxy-3-propoxybenzonitrile is CCCOc1cc(C#N)ccc1O.
What is the InChIKey of 4-hydroxy-3-propoxybenzonitrile?
The InChIKey is WPVXDUPLDKHJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-5-13-10-6-8(7-11)3-4-9(10)12/h3-4,6,12H,2,5H2,1H3.
What are the key properties of 4-hydroxy-3-propoxybenzonitrile?
4-hydroxy-3-propoxybenzonitrile has a molecular weight of 177.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-propoxybenzonitrile is sourced from PubChem (CID 142309388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).