2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile

C14H10ClNO2 — CID 62495723

IUPAC2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile
SMILESN#Cc1c(Cl)cccc1Oc1ccc(CO)cc1
InChIInChI=1S/C14H10ClNO2/c15-13-2-1-3-14(12(13)8-16)18-11-6-4-10(9-17)5-7-11/h1-7,17H,9H2
InChIKeyOVINKXYWOBEYSW-UHFFFAOYSA-N
MW259.69 g/mol
LogP3.50
Rot. Bonds3

About 2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile

2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile (PubChem CID 62495723) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile
PubChem CID62495723
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile
SMILESN#Cc1c(Cl)cccc1Oc1ccc(CO)cc1
InChIInChI=1S/C14H10ClNO2/c15-13-2-1-3-14(12(13)8-16)18-11-6-4-10(9-17)5-7-11/h1-7,17H,9H2
InChIKeyOVINKXYWOBEYSW-UHFFFAOYSA-N
XLogP3.50
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(4-iodophenoxy)benzonitrile
CID 60701773
2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile
CID 58559891
4-(3-chloro-2-cyanophenoxy)benzenesulfinic acid
CID 152770514
2-chloro-6-(4-propoxyphenoxy)benzonitrile
CID 63512370
2-chloro-6-[4-[2-[(4-chlorophenyl)methylamino]ethyl]phenoxy]benzonitrile
CID 142989124
2-[4-[3-chloro-2-(hydroxymethyl)phenoxy]phenyl]acetonitrile
CID 28946031
2-chloro-6-(2-chlorophenoxy)benzonitrile
CID 60701753
2-[4-[4-(3-chloro-2-cyanophenoxy)phenyl]phenoxy]-6-[4-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonylphenoxy]benzonitrile
CID 21062512
2-(4-bromo-3-methylphenoxy)-6-chlorobenzonitrile
CID 83133521
2-chloro-6-(2,4,5-trichlorophenoxy)benzonitrile
CID 60677682
2-chloro-6-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]benzonitrile
CID 5369169
2-[4-(3-chloro-2-cyanophenoxy)phenoxy]-5-[4-[4-(3-chloro-2-cyanophenoxy)phenoxy]-3-sulfophenyl]sulfonylbenzenesulfonic acid
CID 90192191

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile?
The IUPAC name of 2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile (CID 62495723) is 2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile.
What is the SMILES notation for 2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile?
The canonical SMILES for 2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile is N#Cc1c(Cl)cccc1Oc1ccc(CO)cc1.
What is the InChIKey of 2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile?
The InChIKey is OVINKXYWOBEYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-13-2-1-3-14(12(13)8-16)18-11-6-4-10(9-17)5-7-11/h1-7,17H,9H2.
What are the key properties of 2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile?
2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile has a molecular weight of 259.69 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile is sourced from PubChem (CID 62495723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).