5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile

C10H8N2O2 — CID 165349723

IUPAC5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile
SMILESCCOc1cc(C#N)c(O)c(C#N)c1
InChIInChI=1S/C10H8N2O2/c1-2-14-9-3-7(5-11)10(13)8(4-9)6-12/h3-4,13H,2H2,1H3
InChIKeyUZPVWFCCBGWZEV-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.53
Rot. Bonds2

About 5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile

5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile (PubChem CID 165349723) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile
PubChem CID165349723
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile
SMILESCCOc1cc(C#N)c(O)c(C#N)c1
InChIInChI=1S/C10H8N2O2/c1-2-14-9-3-7(5-11)10(13)8(4-9)6-12/h3-4,13H,2H2,1H3
InChIKeyUZPVWFCCBGWZEV-UHFFFAOYSA-N
XLogP1.53
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-5-ethoxy-2-fluorobenzonitrile
CID 131536022
2-acetyl-3-chloro-5-ethoxybenzonitrile
CID 171001379
3-chloro-5-[2-(4-ethoxyphenyl)propan-2-yl]-2-hydroxybenzonitrile
CID 155702096
4-ethoxy-2-fluoro-6-hydroxybenzonitrile
CID 131422202
3-ethoxy-2-fluoro-5-hydroxybenzonitrile
CID 18444762
ethyl 3-cyano-4-hydroxy-5-methoxybenzoate
CID 134644106
4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile
CID 53220179
methyl 3,5-dicyano-4-hydroxybenzoate
CID 155291053
2,6-ditert-butyl-4-ethoxyphenol;ethane
CID 143041042
4-(4-ethoxyanilino)benzene-1,2-dicarbonitrile
CID 139772534
4-ethoxy-2-propan-2-yloxybenzonitrile
CID 22721205
2-(1-chloro-2-oxopropyl)-4-ethoxybenzonitrile
CID 131325053

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile?
The IUPAC name of 5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile (CID 165349723) is 5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile?
The canonical SMILES for 5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile is CCOc1cc(C#N)c(O)c(C#N)c1.
What is the InChIKey of 5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile?
The InChIKey is UZPVWFCCBGWZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-2-14-9-3-7(5-11)10(13)8(4-9)6-12/h3-4,13H,2H2,1H3.
What are the key properties of 5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile?
5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile has a molecular weight of 188.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile is sourced from PubChem (CID 165349723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).