2-(2,3-dimethoxyphenoxy)propanoyl chloride

C11H13ClO4 — CID 82041771

IUPAC2-(2,3-dimethoxyphenoxy)propanoyl chloride
SMILESCOc1cccc(OC(C)C(=O)Cl)c1OC
InChIInChI=1S/C11H13ClO4/c1-7(11(12)13)16-9-6-4-5-8(14-2)10(9)15-3/h4-7H,1-3H3
InChIKeyABGDBHKXTYHILY-UHFFFAOYSA-N
MW244.67 g/mol
LogP2.24
Rot. Bonds5

About 2-(2,3-dimethoxyphenoxy)propanoyl chloride

2-(2,3-dimethoxyphenoxy)propanoyl chloride (PubChem CID 82041771) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenoxy)propanoyl chloride.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenoxy)propanoyl chloride
PubChem CID82041771
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Name2-(2,3-dimethoxyphenoxy)propanoyl chloride
SMILESCOc1cccc(OC(C)C(=O)Cl)c1OC
InChIInChI=1S/C11H13ClO4/c1-7(11(12)13)16-9-6-4-5-8(14-2)10(9)15-3/h4-7H,1-3H3
InChIKeyABGDBHKXTYHILY-UHFFFAOYSA-N
XLogP2.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(2,3-dimethoxyphenoxy)butan-2-one
CID 112501721
(2S)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980355
(2R)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980356
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
(2S)-2-(2,3-dimethylphenoxy)propanoyl chloride
CID 51663755
prop-2-enoyl chloride;1,2,3-trimethoxybenzene
CID 175437840
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
2-(2,6-dimethoxyphenoxy)propanehydrazide
CID 63575102
3-(2,3-dimethoxyphenoxy)butan-1-amine
CID 112508081
(2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid
CID 124564878
2-[5-[2,3,6-trifluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-yl]oxypropanoyl chloride
CID 88525789
2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
CID 83224228

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenoxy)propanoyl chloride?
The IUPAC name of 2-(2,3-dimethoxyphenoxy)propanoyl chloride (CID 82041771) is 2-(2,3-dimethoxyphenoxy)propanoyl chloride.
What is the SMILES notation for 2-(2,3-dimethoxyphenoxy)propanoyl chloride?
The canonical SMILES for 2-(2,3-dimethoxyphenoxy)propanoyl chloride is COc1cccc(OC(C)C(=O)Cl)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenoxy)propanoyl chloride?
The InChIKey is ABGDBHKXTYHILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4/c1-7(11(12)13)16-9-6-4-5-8(14-2)10(9)15-3/h4-7H,1-3H3.
What are the key properties of 2-(2,3-dimethoxyphenoxy)propanoyl chloride?
2-(2,3-dimethoxyphenoxy)propanoyl chloride has a molecular weight of 244.67 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenoxy)propanoyl chloride is sourced from PubChem (CID 82041771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).