4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile

C14H9ClINO — CID 113277305

IUPAC4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(Cl)cc1OCc1ccc(I)cc1
InChIInChI=1S/C14H9ClINO/c15-12-4-3-11(8-17)14(7-12)18-9-10-1-5-13(16)6-2-10/h1-7H,9H2
InChIKeyPVSVNYUNMQHREH-UHFFFAOYSA-N
MW369.59 g/mol
LogP4.40
Rot. Bonds3

About 4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile

4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile (PubChem CID 113277305) has the molecular formula C14H9ClINO and a molecular weight of 369.59 g/mol. Its IUPAC name is 4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile
PubChem CID113277305
Molecular FormulaC14H9ClINO
Molecular Weight369.59 g/mol
Exact Mass368.94
IUPAC Name4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(Cl)cc1OCc1ccc(I)cc1
InChIInChI=1S/C14H9ClINO/c15-12-4-3-11(8-17)14(7-12)18-9-10-1-5-13(16)6-2-10/h1-7H,9H2
InChIKeyPVSVNYUNMQHREH-UHFFFAOYSA-N
XLogP4.40
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.59
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile
CID 80708494
4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile
CID 112630475
2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile
CID 63082961
4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzonitrile
CID 114322730
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202
2-[4-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 105345008
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzonitrile
CID 114322735
5-amino-2-[(4-iodophenyl)methoxy]benzonitrile
CID 65499926
4-chloro-2-(chloromethoxy)benzonitrile
CID 130564109
4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 114322743
4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile
CID 114322638
4-chloro-2-ethoxybenzonitrile
CID 22721189

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile?
The IUPAC name of 4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile (CID 113277305) is 4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile.
What is the SMILES notation for 4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile?
The canonical SMILES for 4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile is N#Cc1ccc(Cl)cc1OCc1ccc(I)cc1.
What is the InChIKey of 4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile?
The InChIKey is PVSVNYUNMQHREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClINO/c15-12-4-3-11(8-17)14(7-12)18-9-10-1-5-13(16)6-2-10/h1-7H,9H2.
What are the key properties of 4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile?
4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile has a molecular weight of 369.59 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile is sourced from PubChem (CID 113277305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).