2-chloro-1-(2-iodoethyl)-4-[2-(4-methoxyphenyl)ethoxy]benzene

C17H18ClIO2 — CID 71426614

IUPAC2-chloro-1-(2-iodoethyl)-4-[2-(4-methoxyphenyl)ethoxy]benzene
SMILESCOc1ccc(CCOc2ccc(CCI)c(Cl)c2)cc1
InChIInChI=1S/C17H18ClIO2/c1-20-15-5-2-13(3-6-15)9-11-21-16-7-4-14(8-10-19)17(18)12-16/h2-7,12H,8-11H2,1H3
InChIKeyHEKFHIHEFRBRQV-UHFFFAOYSA-N
MW416.69 g/mol
LogP4.95
Rot. Bonds7

About 2-chloro-1-(2-iodoethyl)-4-[2-(4-methoxyphenyl)ethoxy]benzene

2-chloro-1-(2-iodoethyl)-4-[2-(4-methoxyphenyl)ethoxy]benzene (PubChem CID 71426614) has the molecular formula C17H18ClIO2 and a molecular weight of 416.69 g/mol. Its IUPAC name is 2-chloro-1-(2-iodoethyl)-4-[2-(4-methoxyphenyl)ethoxy]benzene.

Molecular Properties

Compound Name2-chloro-1-(2-iodoethyl)-4-[2-(4-methoxyphenyl)ethoxy]benzene
PubChem CID71426614
Molecular FormulaC17H18ClIO2
Molecular Weight416.69 g/mol
Exact Mass416.00
IUPAC Name2-chloro-1-(2-iodoethyl)-4-[2-(4-methoxyphenyl)ethoxy]benzene
SMILESCOc1ccc(CCOc2ccc(CCI)c(Cl)c2)cc1
InChIInChI=1S/C17H18ClIO2/c1-20-15-5-2-13(3-6-15)9-11-21-16-7-4-14(8-10-19)17(18)12-16/h2-7,12H,8-11H2,1H3
InChIKeyHEKFHIHEFRBRQV-UHFFFAOYSA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.69
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]benzene
CID 82727338
1,4-dichloro-2-[2-(4-methoxyphenyl)ethoxy]benzene
CID 71628376
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene
CID 65445631
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
1-(3-bromopropyl)-2-chloro-4-methoxybenzene
CID 83942409
4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid
CID 22052474
2-chloro-1-ethyl-4-propoxybenzene
CID 21064447
1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]propan-2-amine
CID 65445918
4-[2-(3-chloro-4-fluorophenoxy)ethyl]aniline
CID 55258225
4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole
CID 116794086
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-iodoethyl)-4-[2-(4-methoxyphenyl)ethoxy]benzene?
The IUPAC name of 2-chloro-1-(2-iodoethyl)-4-[2-(4-methoxyphenyl)ethoxy]benzene (CID 71426614) is 2-chloro-1-(2-iodoethyl)-4-[2-(4-methoxyphenyl)ethoxy]benzene.
What is the SMILES notation for 2-chloro-1-(2-iodoethyl)-4-[2-(4-methoxyphenyl)ethoxy]benzene?
The canonical SMILES for 2-chloro-1-(2-iodoethyl)-4-[2-(4-methoxyphenyl)ethoxy]benzene is COc1ccc(CCOc2ccc(CCI)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-1-(2-iodoethyl)-4-[2-(4-methoxyphenyl)ethoxy]benzene?
The InChIKey is HEKFHIHEFRBRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClIO2/c1-20-15-5-2-13(3-6-15)9-11-21-16-7-4-14(8-10-19)17(18)12-16/h2-7,12H,8-11H2,1H3.
What are the key properties of 2-chloro-1-(2-iodoethyl)-4-[2-(4-methoxyphenyl)ethoxy]benzene?
2-chloro-1-(2-iodoethyl)-4-[2-(4-methoxyphenyl)ethoxy]benzene has a molecular weight of 416.69 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-iodoethyl)-4-[2-(4-methoxyphenyl)ethoxy]benzene is sourced from PubChem (CID 71426614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).