2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene

C15H14I2O2 — CID 139881431

IUPAC2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene
SMILESCOc1ccc(Cc2ccc(OC)c(I)c2)cc1I
InChIInChI=1S/C15H14I2O2/c1-18-14-5-3-10(8-12(14)16)7-11-4-6-15(19-2)13(17)9-11/h3-6,8-9H,7H2,1-2H3
InChIKeyHADIRNDKZROXCF-UHFFFAOYSA-N
MW480.08 g/mol
LogP4.50
Rot. Bonds4

About 2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene

2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene (PubChem CID 139881431) has the molecular formula C15H14I2O2 and a molecular weight of 480.08 g/mol. Its IUPAC name is 2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene
PubChem CID139881431
Molecular FormulaC15H14I2O2
Molecular Weight480.08 g/mol
Exact Mass479.91
IUPAC Name2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene
SMILESCOc1ccc(Cc2ccc(OC)c(I)c2)cc1I
InChIInChI=1S/C15H14I2O2/c1-18-14-5-3-10(8-12(14)16)7-11-4-6-15(19-2)13(17)9-11/h3-6,8-9H,7H2,1-2H3
InChIKeyHADIRNDKZROXCF-UHFFFAOYSA-N
XLogP4.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.08
LogP ≤ 54.50
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

2-iodo-4-[4-(3-iodo-4-methoxyphenyl)butyl]-1-methoxybenzene
CID 71345262
2-iodo-1-methoxy-4-(2-methylpropyl)benzene
CID 153170033
2-(3-iodo-4-methoxyphenyl)acetic acid
CID 13353983
2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene
CID 14778921
3-(3-iodo-4-methoxyphenyl)-2-methylpropanal
CID 91884316
2-(3-iodo-4-methoxyphenyl)ethyl acetate
CID 121223074
4-(4-ethylphenyl)sulfanyl-2-iodo-1-methoxybenzene
CID 91879120
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
3-iodo-4-methoxy-N,N-dimethylaniline
CID 131552436
2-iodo-1-methoxy-4-propan-2-ylbenzene
CID 90221993
tert-butyl N-ethyl-N-[(3-iodo-4-methoxyphenyl)methyl]carbamate
CID 169493297
4-benzyl-1-methoxy-2-phenylbenzene
CID 19420150

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene?
The IUPAC name of 2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene (CID 139881431) is 2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene.
What is the SMILES notation for 2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene?
The canonical SMILES for 2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene is COc1ccc(Cc2ccc(OC)c(I)c2)cc1I.
What is the InChIKey of 2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene?
The InChIKey is HADIRNDKZROXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14I2O2/c1-18-14-5-3-10(8-12(14)16)7-11-4-6-15(19-2)13(17)9-11/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene?
2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene has a molecular weight of 480.08 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene is sourced from PubChem (CID 139881431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).