2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride

C12H12Cl2O4 — CID 88797101

IUPAC2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride
SMILESCOC(C(=O)Cl)c1ccccc1C(OC)C(=O)Cl
InChIInChI=1S/C12H12Cl2O4/c1-17-9(11(13)15)7-5-3-4-6-8(7)10(18-2)12(14)16/h3-6,9-10H,1-2H3
InChIKeyBCXUANAHCWABSO-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.59
Rot. Bonds6

About 2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride

2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride (PubChem CID 88797101) has the molecular formula C12H12Cl2O4 and a molecular weight of 291.13 g/mol. Its IUPAC name is 2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride.

Molecular Properties

Compound Name2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride
PubChem CID88797101
Molecular FormulaC12H12Cl2O4
Molecular Weight291.13 g/mol
Exact Mass290.01
IUPAC Name2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride
SMILESCOC(C(=O)Cl)c1ccccc1C(OC)C(=O)Cl
InChIInChI=1S/C12H12Cl2O4/c1-17-9(11(13)15)7-5-3-4-6-8(7)10(18-2)12(14)16/h3-6,9-10H,1-2H3
InChIKeyBCXUANAHCWABSO-UHFFFAOYSA-N
XLogP2.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.59
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

(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
(2R)-2-(2-bromophenyl)-2-methoxyacetic acid
CID 124585261
1-(2-chlorophenyl)-1-methoxybutan-2-one
CID 83226542
2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride
CID 163377865
2-bromo-2-(2-methylphenyl)acetyl chloride
CID 130740286
2-methoxy-2-(2-methylphenyl)-1-phenylethanone
CID 71321553
1-methoxy-3,3-dimethyl-1-phenylbutan-2-one
CID 58533113
CID 59883683
CID 59883683
2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
CID 83224228
2-methoxy-2-phenylacetate
CID 4569340
(2R)-2-methoxy-2-phenylethanethioic S-acid
CID 10910184
2-[chloro(methoxy)methyl]benzamide
CID 68766878

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride?
The IUPAC name of 2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride (CID 88797101) is 2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride.
What is the SMILES notation for 2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride?
The canonical SMILES for 2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride is COC(C(=O)Cl)c1ccccc1C(OC)C(=O)Cl.
What is the InChIKey of 2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride?
The InChIKey is BCXUANAHCWABSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O4/c1-17-9(11(13)15)7-5-3-4-6-8(7)10(18-2)12(14)16/h3-6,9-10H,1-2H3.
What are the key properties of 2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride?
2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride has a molecular weight of 291.13 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride is sourced from PubChem (CID 88797101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).