2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene

C21H19IO3 — CID 175345189

IUPAC2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene
SMILESCOc1ccccc1-c1c(OC)ccc(OC)c1-c1ccccc1I
InChIInChI=1S/C21H19IO3/c1-23-17-11-7-5-9-15(17)21-19(25-3)13-12-18(24-2)20(21)14-8-4-6-10-16(14)22/h4-13H,1-3H3
InChIKeyXRLJNNHVPAMAJM-UHFFFAOYSA-N
MW446.28 g/mol
LogP5.65
Rot. Bonds5

About 2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene

2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene (PubChem CID 175345189) has the molecular formula C21H19IO3 and a molecular weight of 446.28 g/mol. Its IUPAC name is 2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene.

Molecular Properties

Compound Name2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene
PubChem CID175345189
Molecular FormulaC21H19IO3
Molecular Weight446.28 g/mol
Exact Mass446.04
IUPAC Name2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene
SMILESCOc1ccccc1-c1c(OC)ccc(OC)c1-c1ccccc1I
InChIInChI=1S/C21H19IO3/c1-23-17-11-7-5-9-15(17)21-19(25-3)13-12-18(24-2)20(21)14-8-4-6-10-16(14)22/h4-13H,1-3H3
InChIKeyXRLJNNHVPAMAJM-UHFFFAOYSA-N
XLogP5.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.28
LogP ≤ 55.65
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

1-iodo-2,3,5,6-tetrakis(2-methoxyphenyl)-4-methylbenzene
CID 145152049
1-iodo-3-(2-methoxyphenyl)-2-methyl-4-methylsulfonylbenzene
CID 21183140
2-iodo-7-methoxycyclohepta-2,4,6-trien-1-one
CID 102239319
CID 10968300
CID 10968300
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
5,6-bis(2-methoxyphenyl)tetrathiine
CID 101437216
5-methoxy-2-(2-methoxyphenyl)-1,3-dimethylbenzene
CID 173290629
4-iodo-3-(2-methoxyphenyl)-1,2-oxazole
CID 53254672
1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one
CID 56654613
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene?
The IUPAC name of 2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene (CID 175345189) is 2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene.
What is the SMILES notation for 2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene?
The canonical SMILES for 2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene is COc1ccccc1-c1c(OC)ccc(OC)c1-c1ccccc1I.
What is the InChIKey of 2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene?
The InChIKey is XRLJNNHVPAMAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19IO3/c1-23-17-11-7-5-9-15(17)21-19(25-3)13-12-18(24-2)20(21)14-8-4-6-10-16(14)22/h4-13H,1-3H3.
What are the key properties of 2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene?
2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene has a molecular weight of 446.28 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene is sourced from PubChem (CID 175345189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).