1-chloro-5-iodo-4-methoxy-2-methylbenzene

C8H8ClIO — CID 68934334

IUPAC1-chloro-5-iodo-4-methoxy-2-methylbenzene
SMILESCOc1cc(C)c(Cl)cc1I
InChIInChI=1S/C8H8ClIO/c1-5-3-8(11-2)7(10)4-6(5)9/h3-4H,1-2H3
InChIKeyQRBRZQACCUCWPP-UHFFFAOYSA-N
MW282.51 g/mol
LogP3.26
Rot. Bonds1

About 1-chloro-5-iodo-4-methoxy-2-methylbenzene

1-chloro-5-iodo-4-methoxy-2-methylbenzene (PubChem CID 68934334) has the molecular formula C8H8ClIO and a molecular weight of 282.51 g/mol. Its IUPAC name is 1-chloro-5-iodo-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-chloro-5-iodo-4-methoxy-2-methylbenzene
PubChem CID68934334
Molecular FormulaC8H8ClIO
Molecular Weight282.51 g/mol
Exact Mass281.93
IUPAC Name1-chloro-5-iodo-4-methoxy-2-methylbenzene
SMILESCOc1cc(C)c(Cl)cc1I
InChIInChI=1S/C8H8ClIO/c1-5-3-8(11-2)7(10)4-6(5)9/h3-4H,1-2H3
InChIKeyQRBRZQACCUCWPP-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.51
LogP ≤ 53.26
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-5-iodo-2-methoxy-4-methylbenzene
CID 70931532
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
1-chloro-5-(chloromethyl)-4-methoxy-2-methylbenzene
CID 82470034
4-iodo-5-methoxy-2-methylphenol
CID 166815772
amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
(2-chloro-5-iodo-4-methoxyphenyl)methanamine
CID 171021193
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline
CID 82492751
(5-chloro-2-methoxy-4-methylphenyl)-methoxy-oxoazanium
CID 142513053
2,4-dichloro-6-iodo-3-methoxyaniline
CID 171519391

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-iodo-4-methoxy-2-methylbenzene?
The IUPAC name of 1-chloro-5-iodo-4-methoxy-2-methylbenzene (CID 68934334) is 1-chloro-5-iodo-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-chloro-5-iodo-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-chloro-5-iodo-4-methoxy-2-methylbenzene is COc1cc(C)c(Cl)cc1I.
What is the InChIKey of 1-chloro-5-iodo-4-methoxy-2-methylbenzene?
The InChIKey is QRBRZQACCUCWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClIO/c1-5-3-8(11-2)7(10)4-6(5)9/h3-4H,1-2H3.
What are the key properties of 1-chloro-5-iodo-4-methoxy-2-methylbenzene?
1-chloro-5-iodo-4-methoxy-2-methylbenzene has a molecular weight of 282.51 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-iodo-4-methoxy-2-methylbenzene is sourced from PubChem (CID 68934334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).