2-[4-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetyl chloride

C17H16ClIO3 — CID 166647906

IUPAC2-[4-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetyl chloride
SMILESO=C(Cl)Cc1ccc(I)cc1OCCOCc1ccccc1
InChIInChI=1S/C17H16ClIO3/c18-17(20)10-14-6-7-15(19)11-16(14)22-9-8-21-12-13-4-2-1-3-5-13/h1-7,11H,8-10,12H2
InChIKeyPMNDQKWZKNVTMP-UHFFFAOYSA-N
MW430.67 g/mol
LogP4.19
Rot. Bonds8

About 2-[4-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetyl chloride

2-[4-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetyl chloride (PubChem CID 166647906) has the molecular formula C17H16ClIO3 and a molecular weight of 430.67 g/mol. Its IUPAC name is 2-[4-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetyl chloride.

Molecular Properties

Compound Name2-[4-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetyl chloride
PubChem CID166647906
Molecular FormulaC17H16ClIO3
Molecular Weight430.67 g/mol
Exact Mass429.98
IUPAC Name2-[4-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetyl chloride
SMILESO=C(Cl)Cc1ccc(I)cc1OCCOCc1ccccc1
InChIInChI=1S/C17H16ClIO3/c18-17(20)10-14-6-7-15(19)11-16(14)22-9-8-21-12-13-4-2-1-3-5-13/h1-7,11H,8-10,12H2
InChIKeyPMNDQKWZKNVTMP-UHFFFAOYSA-N
XLogP4.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.67
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]acetic acid
CID 126714734
1-methyl-4-(2-phenylmethoxyethoxy)pyrazole-5-carbonyl chloride
CID 139392321
2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 89308088
2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride
CID 87347938
4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
3-(4-iodo-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 68631589
4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene
CID 22503230
2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 126697668
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
4-iodo-2-phenylmethoxyaniline
CID 66756754
1-bromo-4-iodo-2-phenylmethoxybenzene
CID 11516618

Frequently Asked Questions

What is the IUPAC name of 2-[4-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetyl chloride?
The IUPAC name of 2-[4-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetyl chloride (CID 166647906) is 2-[4-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetyl chloride.
What is the SMILES notation for 2-[4-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetyl chloride?
The canonical SMILES for 2-[4-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetyl chloride is O=C(Cl)Cc1ccc(I)cc1OCCOCc1ccccc1.
What is the InChIKey of 2-[4-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetyl chloride?
The InChIKey is PMNDQKWZKNVTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClIO3/c18-17(20)10-14-6-7-15(19)11-16(14)22-9-8-21-12-13-4-2-1-3-5-13/h1-7,11H,8-10,12H2.
What are the key properties of 2-[4-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetyl chloride?
2-[4-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetyl chloride has a molecular weight of 430.67 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetyl chloride is sourced from PubChem (CID 166647906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).