2-chloro-4-iodo-1,5-dimethoxy-3-propylbenzene

C11H14ClIO2 — CID 121221215

IUPAC2-chloro-4-iodo-1,5-dimethoxy-3-propylbenzene
SMILESCCCc1c(Cl)c(OC)cc(OC)c1I
InChIInChI=1S/C11H14ClIO2/c1-4-5-7-10(12)8(14-2)6-9(15-3)11(7)13/h6H,4-5H2,1-3H3
InChIKeyAZRNVFPBXVDXOH-UHFFFAOYSA-N
MW340.59 g/mol
LogP3.91
Rot. Bonds4

About 2-chloro-4-iodo-1,5-dimethoxy-3-propylbenzene

2-chloro-4-iodo-1,5-dimethoxy-3-propylbenzene (PubChem CID 121221215) has the molecular formula C11H14ClIO2 and a molecular weight of 340.59 g/mol. Its IUPAC name is 2-chloro-4-iodo-1,5-dimethoxy-3-propylbenzene.

Molecular Properties

Compound Name2-chloro-4-iodo-1,5-dimethoxy-3-propylbenzene
PubChem CID121221215
Molecular FormulaC11H14ClIO2
Molecular Weight340.59 g/mol
Exact Mass339.97
IUPAC Name2-chloro-4-iodo-1,5-dimethoxy-3-propylbenzene
SMILESCCCc1c(Cl)c(OC)cc(OC)c1I
InChIInChI=1S/C11H14ClIO2/c1-4-5-7-10(12)8(14-2)6-9(15-3)11(7)13/h6H,4-5H2,1-3H3
InChIKeyAZRNVFPBXVDXOH-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.59
LogP ≤ 53.91
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-(2-chloro-3,5,6-trimethoxyphenyl)acetonitrile
CID 117356095
2,6-diiodo-3,5-dimethoxyphenol
CID 10501483
2,4-dichloro-3-ethenyl-1,5-dimethoxybenzene
CID 134457567
5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene
CID 171002615
1-iodo-2-methoxy-4-propylbenzene
CID 118402577
2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene
CID 22754053
3-(aminomethyl)-4,5-dimethoxy-2-propylaniline
CID 23346964
3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine
CID 84793335
3,5-dimethoxy-2-propylaniline
CID 141261453
(6-chloro-2-iodo-3-methoxyphenyl)methanol
CID 171002946
5-chloro-1-fluoro-2-iodo-3-methoxybenzene
CID 170171606
2-ethyl-5-iodo-1,3-dimethoxybenzene
CID 118819025

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-1,5-dimethoxy-3-propylbenzene?
The IUPAC name of 2-chloro-4-iodo-1,5-dimethoxy-3-propylbenzene (CID 121221215) is 2-chloro-4-iodo-1,5-dimethoxy-3-propylbenzene.
What is the SMILES notation for 2-chloro-4-iodo-1,5-dimethoxy-3-propylbenzene?
The canonical SMILES for 2-chloro-4-iodo-1,5-dimethoxy-3-propylbenzene is CCCc1c(Cl)c(OC)cc(OC)c1I.
What is the InChIKey of 2-chloro-4-iodo-1,5-dimethoxy-3-propylbenzene?
The InChIKey is AZRNVFPBXVDXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIO2/c1-4-5-7-10(12)8(14-2)6-9(15-3)11(7)13/h6H,4-5H2,1-3H3.
What are the key properties of 2-chloro-4-iodo-1,5-dimethoxy-3-propylbenzene?
2-chloro-4-iodo-1,5-dimethoxy-3-propylbenzene has a molecular weight of 340.59 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-1,5-dimethoxy-3-propylbenzene is sourced from PubChem (CID 121221215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).