1-chloro-5-ethoxy-2-iodo-3-methylbenzene

C9H10ClIO — CID 164892578

IUPAC1-chloro-5-ethoxy-2-iodo-3-methylbenzene
SMILESCCOc1cc(C)c(I)c(Cl)c1
InChIInChI=1S/C9H10ClIO/c1-3-12-7-4-6(2)9(11)8(10)5-7/h4-5H,3H2,1-2H3
InChIKeyKSHSIYPYAHUKBR-UHFFFAOYSA-N
MW296.54 g/mol
LogP3.65
Rot. Bonds2

About 1-chloro-5-ethoxy-2-iodo-3-methylbenzene

1-chloro-5-ethoxy-2-iodo-3-methylbenzene (PubChem CID 164892578) has the molecular formula C9H10ClIO and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-chloro-5-ethoxy-2-iodo-3-methylbenzene.

Molecular Properties

Compound Name1-chloro-5-ethoxy-2-iodo-3-methylbenzene
PubChem CID164892578
Molecular FormulaC9H10ClIO
Molecular Weight296.54 g/mol
Exact Mass295.95
IUPAC Name1-chloro-5-ethoxy-2-iodo-3-methylbenzene
SMILESCCOc1cc(C)c(I)c(Cl)c1
InChIInChI=1S/C9H10ClIO/c1-3-12-7-4-6(2)9(11)8(10)5-7/h4-5H,3H2,1-2H3
InChIKeyKSHSIYPYAHUKBR-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 53.65
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

CID 90889125
CID 90889125
5-ethoxy-2-fluoro-1-iodo-3-methylbenzene
CID 131287027
4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride
CID 70476800
2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene
CID 150296892
1-bromo-2,3-dichloro-5-ethoxybenzene
CID 171032896
1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene
CID 171367314
2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene
CID 112828342
2-chloro-4-ethoxy-1-ethylbenzene
CID 21064451
2-chloro-5-ethoxy-1,3-difluorobenzene
CID 118847384
1-bromo-5-ethoxy-2-fluoro-3-methylbenzene
CID 164891518
5-ethoxy-2-fluoro-3-methylphenol
CID 164891522
CID 90242969
CID 90242969

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-ethoxy-2-iodo-3-methylbenzene?
The IUPAC name of 1-chloro-5-ethoxy-2-iodo-3-methylbenzene (CID 164892578) is 1-chloro-5-ethoxy-2-iodo-3-methylbenzene.
What is the SMILES notation for 1-chloro-5-ethoxy-2-iodo-3-methylbenzene?
The canonical SMILES for 1-chloro-5-ethoxy-2-iodo-3-methylbenzene is CCOc1cc(C)c(I)c(Cl)c1.
What is the InChIKey of 1-chloro-5-ethoxy-2-iodo-3-methylbenzene?
The InChIKey is KSHSIYPYAHUKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClIO/c1-3-12-7-4-6(2)9(11)8(10)5-7/h4-5H,3H2,1-2H3.
What are the key properties of 1-chloro-5-ethoxy-2-iodo-3-methylbenzene?
1-chloro-5-ethoxy-2-iodo-3-methylbenzene has a molecular weight of 296.54 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-ethoxy-2-iodo-3-methylbenzene is sourced from PubChem (CID 164892578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).