2-(3-iodophenoxy)-4-methoxybenzonitrile

C14H10INO2 — CID 81305875

IUPAC2-(3-iodophenoxy)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(Oc2cccc(I)c2)c1
InChIInChI=1S/C14H10INO2/c1-17-12-6-5-10(9-16)14(8-12)18-13-4-2-3-11(15)7-13/h2-8H,1H3
InChIKeyFUHJBWDTWLULQP-UHFFFAOYSA-N
MW351.14 g/mol
LogP3.96
Rot. Bonds3

About 2-(3-iodophenoxy)-4-methoxybenzonitrile

2-(3-iodophenoxy)-4-methoxybenzonitrile (PubChem CID 81305875) has the molecular formula C14H10INO2 and a molecular weight of 351.14 g/mol. Its IUPAC name is 2-(3-iodophenoxy)-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-(3-iodophenoxy)-4-methoxybenzonitrile
PubChem CID81305875
Molecular FormulaC14H10INO2
Molecular Weight351.14 g/mol
Exact Mass350.98
IUPAC Name2-(3-iodophenoxy)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(Oc2cccc(I)c2)c1
InChIInChI=1S/C14H10INO2/c1-17-12-6-5-10(9-16)14(8-12)18-13-4-2-3-11(15)7-13/h2-8H,1H3
InChIKeyFUHJBWDTWLULQP-UHFFFAOYSA-N
XLogP3.96
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.14
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-naphthalen-2-yloxybenzonitrile
CID 81297139
2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile
CID 57402655
4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile
CID 81305970
2-(4-ethylphenoxy)-4-methoxybenzonitrile
CID 81306042
2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile
CID 81305874
1,4-dimethoxy-2-(3-methoxyphenoxy)benzene
CID 95561214
4-(3-iodophenoxy)benzonitrile
CID 43137980
4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 81306225
4-methoxy-2-[2-(trifluoromethyl)phenoxy]benzonitrile
CID 81296767
2-(2-chloro-6-nitrophenoxy)-4-methoxybenzonitrile
CID 107716757
4-(3,4-diphenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667750
4-bromo-2-(3,5-dimethoxyphenoxy)benzonitrile
CID 23431864

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenoxy)-4-methoxybenzonitrile?
The IUPAC name of 2-(3-iodophenoxy)-4-methoxybenzonitrile (CID 81305875) is 2-(3-iodophenoxy)-4-methoxybenzonitrile.
What is the SMILES notation for 2-(3-iodophenoxy)-4-methoxybenzonitrile?
The canonical SMILES for 2-(3-iodophenoxy)-4-methoxybenzonitrile is COc1ccc(C#N)c(Oc2cccc(I)c2)c1.
What is the InChIKey of 2-(3-iodophenoxy)-4-methoxybenzonitrile?
The InChIKey is FUHJBWDTWLULQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10INO2/c1-17-12-6-5-10(9-16)14(8-12)18-13-4-2-3-11(15)7-13/h2-8H,1H3.
What are the key properties of 2-(3-iodophenoxy)-4-methoxybenzonitrile?
2-(3-iodophenoxy)-4-methoxybenzonitrile has a molecular weight of 351.14 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenoxy)-4-methoxybenzonitrile is sourced from PubChem (CID 81305875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).