1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene

C14H12ClIO — CID 65490741

IUPAC1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene
SMILESClc1ccc(COCc2ccc(I)cc2)cc1
InChIInChI=1S/C14H12ClIO/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2
InChIKeyKJPHCAULUMRQTR-UHFFFAOYSA-N
MW358.61 g/mol
LogP4.66
Rot. Bonds4

About 1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene

1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene (PubChem CID 65490741) has the molecular formula C14H12ClIO and a molecular weight of 358.61 g/mol. Its IUPAC name is 1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene
PubChem CID65490741
Molecular FormulaC14H12ClIO
Molecular Weight358.61 g/mol
Exact Mass357.96
IUPAC Name1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene
SMILESClc1ccc(COCc2ccc(I)cc2)cc1
InChIInChI=1S/C14H12ClIO/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2
InChIKeyKJPHCAULUMRQTR-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.61
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene
CID 65490546
2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole
CID 79765516
[4-[(4-iodophenyl)methoxymethyl]phenyl]-diphenylsulfanium
CID 165155213
1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65477672
1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene
CID 13367652
1-[(3-bromo-2,2-dimethylpropoxy)methyl]-4-chlorobenzene
CID 65124513
5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline
CID 65124394
1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene
CID 65125960
1-chloro-4-(sulfanyloxymethyl)benzene
CID 171074513
2-[2-[2-[2-[(4-iodophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 23598251
1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine
CID 65476413
1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide
CID 68767831

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene?
The IUPAC name of 1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene (CID 65490741) is 1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene.
What is the SMILES notation for 1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene?
The canonical SMILES for 1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene is Clc1ccc(COCc2ccc(I)cc2)cc1.
What is the InChIKey of 1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene?
The InChIKey is KJPHCAULUMRQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIO/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2.
What are the key properties of 1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene?
1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene has a molecular weight of 358.61 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene is sourced from PubChem (CID 65490741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).