2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene

C15H14ClIO2 — CID 63429406

IUPAC2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(Cl)c2ccc(I)cc2)c1
InChIInChI=1S/C15H14ClIO2/c1-18-12-7-8-14(19-2)13(9-12)15(16)10-3-5-11(17)6-4-10/h3-9,15H,1-2H3
InChIKeyNVZJUCAOIHIFCP-UHFFFAOYSA-N
MW388.63 g/mol
LogP4.64
Rot. Bonds4

About 2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene

2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene (PubChem CID 63429406) has the molecular formula C15H14ClIO2 and a molecular weight of 388.63 g/mol. Its IUPAC name is 2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene
PubChem CID63429406
Molecular FormulaC15H14ClIO2
Molecular Weight388.63 g/mol
Exact Mass387.97
IUPAC Name2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(Cl)c2ccc(I)cc2)c1
InChIInChI=1S/C15H14ClIO2/c1-18-12-7-8-14(19-2)13(9-12)15(16)10-3-5-11(17)6-4-10/h3-9,15H,1-2H3
InChIKeyNVZJUCAOIHIFCP-UHFFFAOYSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.63
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[chloro-(4-fluorophenyl)methyl]-1,4-dimethoxybenzene
CID 61085947
2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene
CID 61083516
(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine
CID 43124868
2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene
CID 63432243
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene
CID 63434160
2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene
CID 63429668
2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene
CID 61086035
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
1-chloro-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 116962039
2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
CID 63428998

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene?
The IUPAC name of 2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene (CID 63429406) is 2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene.
What is the SMILES notation for 2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene?
The canonical SMILES for 2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene is COc1ccc(OC)c(C(Cl)c2ccc(I)cc2)c1.
What is the InChIKey of 2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene?
The InChIKey is NVZJUCAOIHIFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIO2/c1-18-12-7-8-14(19-2)13(9-12)15(16)10-3-5-11(17)6-4-10/h3-9,15H,1-2H3.
What are the key properties of 2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene?
2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene has a molecular weight of 388.63 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene is sourced from PubChem (CID 63429406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).