4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile

C13H7Cl2NO2 — CID 25023955

IUPAC4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile
SMILESN#Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C13H7Cl2NO2/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-6,17H
InChIKeyQYLRCMQANMWAOJ-UHFFFAOYSA-N
MW280.11 g/mol
LogP4.36
Rot. Bonds2

About 4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile

4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile (PubChem CID 25023955) has the molecular formula C13H7Cl2NO2 and a molecular weight of 280.11 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile
PubChem CID25023955
Molecular FormulaC13H7Cl2NO2
Molecular Weight280.11 g/mol
Exact Mass278.99
IUPAC Name4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile
SMILESN#Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C13H7Cl2NO2/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-6,17H
InChIKeyQYLRCMQANMWAOJ-UHFFFAOYSA-N
XLogP4.36
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile?
The IUPAC name of 4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile (CID 25023955) is 4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile is N#Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile?
The InChIKey is QYLRCMQANMWAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO2/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-6,17H.
What are the key properties of 4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile?
4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile has a molecular weight of 280.11 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile is sourced from PubChem (CID 25023955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).