4-[2-(2,6-dichlorophenoxy)-1-hydroxyethyl]benzonitrile

C15H11Cl2NO2 — CID 109414040

IUPAC4-[2-(2,6-dichlorophenoxy)-1-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(C(O)COc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H11Cl2NO2/c16-12-2-1-3-13(17)15(12)20-9-14(19)11-6-4-10(8-18)5-7-11/h1-7,14,19H,9H2
InChIKeyVRGMNAADYFSLOM-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.98
Rot. Bonds4

About 4-[2-(2,6-dichlorophenoxy)-1-hydroxyethyl]benzonitrile

4-[2-(2,6-dichlorophenoxy)-1-hydroxyethyl]benzonitrile (PubChem CID 109414040) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 4-[2-(2,6-dichlorophenoxy)-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(2,6-dichlorophenoxy)-1-hydroxyethyl]benzonitrile
PubChem CID109414040
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name4-[2-(2,6-dichlorophenoxy)-1-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(C(O)COc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H11Cl2NO2/c16-12-2-1-3-13(17)15(12)20-9-14(19)11-6-4-10(8-18)5-7-11/h1-7,14,19H,9H2
InChIKeyVRGMNAADYFSLOM-UHFFFAOYSA-N
XLogP3.98
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile
CID 109412889
3-chloro-4-[2-(4-cyanophenyl)-2-hydroxyethoxy]-5-ethoxybenzonitrile
CID 154751151
4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile
CID 2813577
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
3-chloro-4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]benzonitrile
CID 81135278
3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile
CID 109414638
2-(2,6-dichlorophenoxy)acetonitrile
CID 2799245
3-[(2R)-2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-hydroxyethoxy]-4-fluorobenzonitrile
CID 58327091
4-(1-hydroxyhex-5-ynyl)benzonitrile
CID 114982853
4-[3-(2-chloroanilino)-2-hydroxypropoxy]benzonitrile
CID 60720665
4-[2-(4-aminophenyl)-2-hydroxyethoxy]-3-fluorobenzonitrile
CID 107670256
4-[(1R,2S)-2-(4-cyanophenyl)-1,2-dihydroxyethyl]benzonitrile
CID 10912374

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dichlorophenoxy)-1-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[2-(2,6-dichlorophenoxy)-1-hydroxyethyl]benzonitrile (CID 109414040) is 4-[2-(2,6-dichlorophenoxy)-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[2-(2,6-dichlorophenoxy)-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[2-(2,6-dichlorophenoxy)-1-hydroxyethyl]benzonitrile is N#Cc1ccc(C(O)COc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-[2-(2,6-dichlorophenoxy)-1-hydroxyethyl]benzonitrile?
The InChIKey is VRGMNAADYFSLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c16-12-2-1-3-13(17)15(12)20-9-14(19)11-6-4-10(8-18)5-7-11/h1-7,14,19H,9H2.
What are the key properties of 4-[2-(2,6-dichlorophenoxy)-1-hydroxyethyl]benzonitrile?
4-[2-(2,6-dichlorophenoxy)-1-hydroxyethyl]benzonitrile has a molecular weight of 308.16 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dichlorophenoxy)-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 109414040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).