5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene

C8H7Cl2IO — CID 171002615

IUPAC5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene
SMILESCOc1cc(Cl)cc(CCl)c1I
InChIInChI=1S/C8H7Cl2IO/c1-12-7-3-6(10)2-5(4-9)8(7)11/h2-3H,4H2,1H3
InChIKeyVAHAXMDTLBAWQV-UHFFFAOYSA-N
MW316.95 g/mol
LogP3.69
Rot. Bonds2

About 5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene

5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene (PubChem CID 171002615) has the molecular formula C8H7Cl2IO and a molecular weight of 316.95 g/mol. Its IUPAC name is 5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene.

Molecular Properties

Compound Name5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene
PubChem CID171002615
Molecular FormulaC8H7Cl2IO
Molecular Weight316.95 g/mol
Exact Mass315.89
IUPAC Name5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene
SMILESCOc1cc(Cl)cc(CCl)c1I
InChIInChI=1S/C8H7Cl2IO/c1-12-7-3-6(10)2-5(4-9)8(7)11/h2-3H,4H2,1H3
InChIKeyVAHAXMDTLBAWQV-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.95
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-fluoro-2-iodo-3-methoxybenzene
CID 170171606
5-chloro-1-(chloromethyl)-3-methoxy-2-nitrobenzene
CID 171002216
5-chloro-1-(chloromethyl)-3-methoxy-2-(2,2,2-trifluoroethoxy)benzene
CID 104666188
5-chloro-1-(chloromethyl)-2-(2-ethylbutoxy)-3-methoxybenzene
CID 113438867
5-chloro-1-ethyl-3-methoxy-2-methylbenzene
CID 157390300
(5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine
CID 84680067
1-chloro-5-(chloromethyl)-2,4-dimethoxybenzene
CID 82645011
5-chloro-1-(chloromethyl)-2-(2-ethylsulfonylethoxy)-3-methoxybenzene
CID 104666222
5-chloro-1-(chloromethyl)-3-methoxy-2-[2-(2-methylpropoxy)ethoxy]benzene
CID 106454056
5-chloro-1-(chloromethyl)-2-[(3,4-dimethylphenyl)methoxy]-3-methoxybenzene
CID 104666195
2-[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]butanenitrile
CID 104666243
4-(2,5-dichloro-3-methoxyphenyl)butan-1-amine
CID 117372775

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene?
The IUPAC name of 5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene (CID 171002615) is 5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene.
What is the SMILES notation for 5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene?
The canonical SMILES for 5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene is COc1cc(Cl)cc(CCl)c1I.
What is the InChIKey of 5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene?
The InChIKey is VAHAXMDTLBAWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2IO/c1-12-7-3-6(10)2-5(4-9)8(7)11/h2-3H,4H2,1H3.
What are the key properties of 5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene?
5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene has a molecular weight of 316.95 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene is sourced from PubChem (CID 171002615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).