2-(3,4-dichlorophenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile

C15H8Cl2N2O2 — CID 131743308

IUPAC2-(3,4-dichlorophenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile
SMILESCOc1cc(C#N)c(-c2ccc(Cl)c(Cl)c2)c(C#N)c1O
InChIInChI=1S/C15H8Cl2N2O2/c1-21-13-5-9(6-18)14(10(7-19)15(13)20)8-2-3-11(16)12(17)4-8/h2-5,20H,1H3
InChIKeySSQYDVDYBZQXSK-UHFFFAOYSA-N
MW319.15 g/mol
LogP4.12
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile

2-(3,4-dichlorophenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile (PubChem CID 131743308) has the molecular formula C15H8Cl2N2O2 and a molecular weight of 319.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile
PubChem CID131743308
Molecular FormulaC15H8Cl2N2O2
Molecular Weight319.15 g/mol
Exact Mass318.00
IUPAC Name2-(3,4-dichlorophenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile
SMILESCOc1cc(C#N)c(-c2ccc(Cl)c(Cl)c2)c(C#N)c1O
InChIInChI=1S/C15H8Cl2N2O2/c1-21-13-5-9(6-18)14(10(7-19)15(13)20)8-2-3-11(16)12(17)4-8/h2-5,20H,1H3
InChIKeySSQYDVDYBZQXSK-UHFFFAOYSA-N
XLogP4.12
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile (CID 131743308) is 2-(3,4-dichlorophenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile is COc1cc(C#N)c(-c2ccc(Cl)c(Cl)c2)c(C#N)c1O.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile?
The InChIKey is SSQYDVDYBZQXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O2/c1-21-13-5-9(6-18)14(10(7-19)15(13)20)8-2-3-11(16)12(17)4-8/h2-5,20H,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile?
2-(3,4-dichlorophenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile has a molecular weight of 319.15 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile is sourced from PubChem (CID 131743308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).