2-[4-(chloromethyl)phenoxy]acetyl chloride

C9H8Cl2O2 — CID 163550432

IUPAC2-[4-(chloromethyl)phenoxy]acetyl chloride
SMILESO=C(Cl)COc1ccc(CCl)cc1
InChIInChI=1S/C9H8Cl2O2/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-4H,5-6H2
InChIKeyFIPMKFVTPOQJRX-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.57
Rot. Bonds4

About 2-[4-(chloromethyl)phenoxy]acetyl chloride

2-[4-(chloromethyl)phenoxy]acetyl chloride (PubChem CID 163550432) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is 2-[4-(chloromethyl)phenoxy]acetyl chloride.

Molecular Properties

Compound Name2-[4-(chloromethyl)phenoxy]acetyl chloride
PubChem CID163550432
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Name2-[4-(chloromethyl)phenoxy]acetyl chloride
SMILESO=C(Cl)COc1ccc(CCl)cc1
InChIInChI=1S/C9H8Cl2O2/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-4H,5-6H2
InChIKeyFIPMKFVTPOQJRX-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenoxy)acetyl chloride
CID 611195
2-(4-hexylphenoxy)acetyl chloride
CID 86712364
2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride
CID 142905158
2-[4-[(4-hexylphenyl)diazenyl]phenoxy]acetyl chloride
CID 22501487
1-[4-(chloromethyl)phenoxy]propan-2-ol
CID 134374781
4-[4-(chloromethyl)phenoxy]-2-methylbutanoic acid
CID 21493879
2-(4-fluoro-3-methylphenoxy)acetyl chloride
CID 59775204
1-(chloromethyl)-4-(4-phenoxybutoxy)benzene
CID 23206644
2-(3,5-difluorophenoxy)acetyl chloride
CID 168917412
2-[4-(chloromethyl)phenoxy]acetonitrile
CID 23514379
2-(7-methylnaphthalen-2-yl)oxyacetyl chloride
CID 139664130
2-(4-prop-2-enoxyphenyl)acetyl chloride
CID 22625448

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)phenoxy]acetyl chloride?
The IUPAC name of 2-[4-(chloromethyl)phenoxy]acetyl chloride (CID 163550432) is 2-[4-(chloromethyl)phenoxy]acetyl chloride.
What is the SMILES notation for 2-[4-(chloromethyl)phenoxy]acetyl chloride?
The canonical SMILES for 2-[4-(chloromethyl)phenoxy]acetyl chloride is O=C(Cl)COc1ccc(CCl)cc1.
What is the InChIKey of 2-[4-(chloromethyl)phenoxy]acetyl chloride?
The InChIKey is FIPMKFVTPOQJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-4H,5-6H2.
What are the key properties of 2-[4-(chloromethyl)phenoxy]acetyl chloride?
2-[4-(chloromethyl)phenoxy]acetyl chloride has a molecular weight of 219.07 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)phenoxy]acetyl chloride is sourced from PubChem (CID 163550432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).