methyl 2-[4-(iodomethyl)phenoxy]acetate

C10H11IO3 — CID 89385998

IUPACmethyl 2-[4-(iodomethyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(CI)cc1
InChIInChI=1S/C10H11IO3/c1-13-10(12)7-14-9-4-2-8(6-11)3-5-9/h2-5H,6-7H2,1H3
InChIKeyHOABOWAXJIOOFX-UHFFFAOYSA-N
MW306.10 g/mol
LogP2.17
Rot. Bonds4

About methyl 2-[4-(iodomethyl)phenoxy]acetate

methyl 2-[4-(iodomethyl)phenoxy]acetate (PubChem CID 89385998) has the molecular formula C10H11IO3 and a molecular weight of 306.10 g/mol. Its IUPAC name is methyl 2-[4-(iodomethyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(iodomethyl)phenoxy]acetate
PubChem CID89385998
Molecular FormulaC10H11IO3
Molecular Weight306.10 g/mol
Exact Mass305.98
IUPAC Namemethyl 2-[4-(iodomethyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(CI)cc1
InChIInChI=1S/C10H11IO3/c1-13-10(12)7-14-9-4-2-8(6-11)3-5-9/h2-5H,6-7H2,1H3
InChIKeyHOABOWAXJIOOFX-UHFFFAOYSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-propylphenoxy)acetate
CID 19911850
methyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 15674417
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
methyl 2-[4-[1,1-bis[4-(2-methoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]acetate
CID 11519263
methyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate
CID 20820636
methyl 2-pyridin-4-yloxyacetate
CID 90026078
methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
CID 43503745
methyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate
CID 22096865
methyl 2-[4-[(4-bromophenyl)methylamino]phenoxy]acetate
CID 43676782
methyl 2-[4-[(prop-2-enylamino)methyl]phenoxy]acetate
CID 18778485

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(iodomethyl)phenoxy]acetate?
The IUPAC name of methyl 2-[4-(iodomethyl)phenoxy]acetate (CID 89385998) is methyl 2-[4-(iodomethyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(iodomethyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-(iodomethyl)phenoxy]acetate is COC(=O)COc1ccc(CI)cc1.
What is the InChIKey of methyl 2-[4-(iodomethyl)phenoxy]acetate?
The InChIKey is HOABOWAXJIOOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO3/c1-13-10(12)7-14-9-4-2-8(6-11)3-5-9/h2-5H,6-7H2,1H3.
What are the key properties of methyl 2-[4-(iodomethyl)phenoxy]acetate?
methyl 2-[4-(iodomethyl)phenoxy]acetate has a molecular weight of 306.10 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(iodomethyl)phenoxy]acetate is sourced from PubChem (CID 89385998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).