4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile

C14H16N2O2 — CID 141478282

IUPAC4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile
SMILESCC(C)Oc1cc(C#N)c(C#N)cc1OC(C)C
InChIInChI=1S/C14H16N2O2/c1-9(2)17-13-5-11(7-15)12(8-16)6-14(13)18-10(3)4/h5-6,9-10H,1-4H3
InChIKeyPCMUWNHXQFNPTL-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.00
Rot. Bonds4

About 4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile

4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile (PubChem CID 141478282) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile
PubChem CID141478282
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile
SMILESCC(C)Oc1cc(C#N)c(C#N)cc1OC(C)C
InChIInChI=1S/C14H16N2O2/c1-9(2)17-13-5-11(7-15)12(8-16)6-14(13)18-10(3)4/h5-6,9-10H,1-4H3
InChIKeyPCMUWNHXQFNPTL-UHFFFAOYSA-N
XLogP3.00
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile 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

5-(disulfanyl)-2-propan-2-yloxybenzonitrile
CID 123603788
4-amino-2-propan-2-yloxybenzonitrile
CID 131557509
5-(3-chlorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684041
5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684040
5-(4-chlorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684056
(3-cyano-4-propan-2-yloxyphenoxy)boronic acid
CID 142790559
N-(3-cyano-4-propan-2-yloxyphenyl)formamide
CID 169157316
2-amino-5-chloro-4-propan-2-yloxybenzonitrile
CID 20506444
3-propan-2-yloxypyridine-4-carbonitrile
CID 91623739
3-amino-4-propan-2-yloxybenzonitrile
CID 43518279
ethane;propane;2-propan-2-yloxybenzonitrile
CID 145341858
2-ethyl-5-propan-2-yloxypyridine-4-carbonitrile
CID 176999811

Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile?
The IUPAC name of 4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile (CID 141478282) is 4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile?
The canonical SMILES for 4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile is CC(C)Oc1cc(C#N)c(C#N)cc1OC(C)C.
What is the InChIKey of 4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile?
The InChIKey is PCMUWNHXQFNPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(2)17-13-5-11(7-15)12(8-16)6-14(13)18-10(3)4/h5-6,9-10H,1-4H3.
What are the key properties of 4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile?
4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile has a molecular weight of 244.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 141478282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).