1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene

C15H14ClIO2 — CID 65477833

IUPAC1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene
SMILESCOc1ccc(CCl)c(OCc2ccc(I)cc2)c1
InChIInChI=1S/C15H14ClIO2/c1-18-14-7-4-12(9-16)15(8-14)19-10-11-2-5-13(17)6-3-11/h2-8H,9-10H2,1H3
InChIKeyBYGMCZVQFBKCGM-UHFFFAOYSA-N
MW388.63 g/mol
LogP4.62
Rot. Bonds5

About 1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene

1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene (PubChem CID 65477833) has the molecular formula C15H14ClIO2 and a molecular weight of 388.63 g/mol. Its IUPAC name is 1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene
PubChem CID65477833
Molecular FormulaC15H14ClIO2
Molecular Weight388.63 g/mol
Exact Mass387.97
IUPAC Name1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene
SMILESCOc1ccc(CCl)c(OCc2ccc(I)cc2)c1
InChIInChI=1S/C15H14ClIO2/c1-18-14-7-4-12(9-16)15(8-14)19-10-11-2-5-13(17)6-3-11/h2-8H,9-10H2,1H3
InChIKeyBYGMCZVQFBKCGM-UHFFFAOYSA-N
XLogP4.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.63
LogP ≤ 54.62
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

1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 61270022
2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081
2-[(4-iodophenyl)methoxy]-5-methoxyaniline
CID 65498773
2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene
CID 139826649
2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine
CID 62700508
1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
CID 63534195
1-(chloromethyl)-4-methoxy-2-[(3-nitrophenyl)methoxy]benzene
CID 61269650
1-[(4-iodophenyl)methoxy]-3,5-dimethoxybenzene
CID 65490326
1-(chloromethyl)-4-methoxy-2-(2-methylpropoxy)benzene
CID 61268907
2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82885946
1-(chloromethyl)-2-decoxy-4-methoxybenzene
CID 63534859
5-iodo-2-[(4-methoxyphenyl)methoxy]aniline
CID 66079969

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene?
The IUPAC name of 1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene (CID 65477833) is 1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene.
What is the SMILES notation for 1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene?
The canonical SMILES for 1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene is COc1ccc(CCl)c(OCc2ccc(I)cc2)c1.
What is the InChIKey of 1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene?
The InChIKey is BYGMCZVQFBKCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIO2/c1-18-14-7-4-12(9-16)15(8-14)19-10-11-2-5-13(17)6-3-11/h2-8H,9-10H2,1H3.
What are the key properties of 1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene?
1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene has a molecular weight of 388.63 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene is sourced from PubChem (CID 65477833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).