chloromethane;2-phenoxyacetic acid

C9H11ClO3 — CID 157255542

IUPACchloromethane;2-phenoxyacetic acid
SMILESCCl.O=C(O)COc1ccccc1
InChIInChI=1S/C8H8O3.CH3Cl/c9-8(10)6-11-7-4-2-1-3-5-7;1-2/h1-5H,6H2,(H,9,10);1H3
InChIKeyAWVSUWFQFFHWGM-UHFFFAOYSA-N
MW202.64 g/mol
LogP2.01
Rot. Bonds3

About chloromethane;2-phenoxyacetic acid

chloromethane;2-phenoxyacetic acid (PubChem CID 157255542) has the molecular formula C9H11ClO3 and a molecular weight of 202.64 g/mol. Its IUPAC name is chloromethane;2-phenoxyacetic acid.

Molecular Properties

Compound Namechloromethane;2-phenoxyacetic acid
PubChem CID157255542
Molecular FormulaC9H11ClO3
Molecular Weight202.64 g/mol
Exact Mass202.04
IUPAC Namechloromethane;2-phenoxyacetic acid
SMILESCCl.O=C(O)COc1ccccc1
InChIInChI=1S/C8H8O3.CH3Cl/c9-8(10)6-11-7-4-2-1-3-5-7;1-2/h1-5H,6H2,(H,9,10);1H3
InChIKeyAWVSUWFQFFHWGM-UHFFFAOYSA-N
XLogP2.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyacetic acid;titanium
CID 174896747
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
naphthalene;2-phenoxyacetic acid
CID 175275275
2-phenoxyacetic acid;phenyl acetate
CID 160680696
2-phenoxyacetic acid;piperazine
CID 54610102
2-ethylbutanoic acid;2-phenoxyacetic acid
CID 69343570
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-[4-(1-phenylpropyl)phenoxy]acetic acid
CID 101304213
3-methyl-3-(3-phenoxyprop-1-en-2-yl)pentane-2,4-dione
CID 101018712
1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid
CID 175172730
2-oxo-3-phenoxypropanoic acid
CID 18994126

Frequently Asked Questions

What is the IUPAC name of chloromethane;2-phenoxyacetic acid?
The IUPAC name of chloromethane;2-phenoxyacetic acid (CID 157255542) is chloromethane;2-phenoxyacetic acid.
What is the SMILES notation for chloromethane;2-phenoxyacetic acid?
The canonical SMILES for chloromethane;2-phenoxyacetic acid is CCl.O=C(O)COc1ccccc1.
What is the InChIKey of chloromethane;2-phenoxyacetic acid?
The InChIKey is AWVSUWFQFFHWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.CH3Cl/c9-8(10)6-11-7-4-2-1-3-5-7;1-2/h1-5H,6H2,(H,9,10);1H3.
What are the key properties of chloromethane;2-phenoxyacetic acid?
chloromethane;2-phenoxyacetic acid has a molecular weight of 202.64 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;2-phenoxyacetic acid is sourced from PubChem (CID 157255542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).