2-(4-prop-2-enoxyphenyl)acetyl chloride

C11H11ClO2 — CID 22625448

IUPAC2-(4-prop-2-enoxyphenyl)acetyl chloride
SMILESC=CCOc1ccc(CC(=O)Cl)cc1
InChIInChI=1S/C11H11ClO2/c1-2-7-14-10-5-3-9(4-6-10)8-11(12)13/h2-6H,1,7-8H2
InChIKeyUOOQHQLQNOCFLM-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.56
Rot. Bonds5

About 2-(4-prop-2-enoxyphenyl)acetyl chloride

2-(4-prop-2-enoxyphenyl)acetyl chloride (PubChem CID 22625448) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-(4-prop-2-enoxyphenyl)acetyl chloride.

Molecular Properties

Compound Name2-(4-prop-2-enoxyphenyl)acetyl chloride
PubChem CID22625448
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name2-(4-prop-2-enoxyphenyl)acetyl chloride
SMILESC=CCOc1ccc(CC(=O)Cl)cc1
InChIInChI=1S/C11H11ClO2/c1-2-7-14-10-5-3-9(4-6-10)8-11(12)13/h2-6H,1,7-8H2
InChIKeyUOOQHQLQNOCFLM-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-prop-2-enoxyphenyl)methyl]phenol
CID 68636078
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
2-(4-prop-2-enoxyphenoxy)acetamide
CID 3608594
(3S)-3-amino-4-(4-prop-2-enoxyphenyl)butan-2-one
CID 170070468
2-[[4-(2-chloro-2-oxoethyl)phenoxy]methyl]benzoyl chloride
CID 58986826
1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
CID 67815398
2-(4-trimethylsilyloxyphenyl)acetyl chloride
CID 12726260
(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
CID 70257888
3-(4-prop-2-enoxyphenyl)propan-1-ol
CID 54214209
(4S)-2,6-dimethyl-4-[(4-prop-2-enoxyphenyl)methyl]heptan-3-one
CID 160834749
(4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate
CID 175436244
1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene
CID 59168518

Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-2-enoxyphenyl)acetyl chloride?
The IUPAC name of 2-(4-prop-2-enoxyphenyl)acetyl chloride (CID 22625448) is 2-(4-prop-2-enoxyphenyl)acetyl chloride.
What is the SMILES notation for 2-(4-prop-2-enoxyphenyl)acetyl chloride?
The canonical SMILES for 2-(4-prop-2-enoxyphenyl)acetyl chloride is C=CCOc1ccc(CC(=O)Cl)cc1.
What is the InChIKey of 2-(4-prop-2-enoxyphenyl)acetyl chloride?
The InChIKey is UOOQHQLQNOCFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-2-7-14-10-5-3-9(4-6-10)8-11(12)13/h2-6H,1,7-8H2.
What are the key properties of 2-(4-prop-2-enoxyphenyl)acetyl chloride?
2-(4-prop-2-enoxyphenyl)acetyl chloride has a molecular weight of 210.66 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-2-enoxyphenyl)acetyl chloride is sourced from PubChem (CID 22625448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).