1-(3-chloro-2-prop-2-enoxyphenyl)ethanone

C11H11ClO2 — CID 82078008

IUPAC1-(3-chloro-2-prop-2-enoxyphenyl)ethanone
SMILESC=CCOc1c(Cl)cccc1C(C)=O
InChIInChI=1S/C11H11ClO2/c1-3-7-14-11-9(8(2)13)5-4-6-10(11)12/h3-6H,1,7H2,2H3
InChIKeyMEPLFZOHNNMEIO-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.11
Rot. Bonds4

About 1-(3-chloro-2-prop-2-enoxyphenyl)ethanone

1-(3-chloro-2-prop-2-enoxyphenyl)ethanone (PubChem CID 82078008) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(3-chloro-2-prop-2-enoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-2-prop-2-enoxyphenyl)ethanone
PubChem CID82078008
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name1-(3-chloro-2-prop-2-enoxyphenyl)ethanone
SMILESC=CCOc1c(Cl)cccc1C(C)=O
InChIInChI=1S/C11H11ClO2/c1-3-7-14-11-9(8(2)13)5-4-6-10(11)12/h3-6H,1,7H2,2H3
InChIKeyMEPLFZOHNNMEIO-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone
CID 82093759
1-(3-nitro-2-prop-2-enoxyphenyl)ethanone
CID 71490496
1-[3-chloro-2-(cyclopropylmethoxy)phenyl]ethanone
CID 84689440
2-prop-2-enoxybenzene-1,3-dicarbonyl chloride
CID 54419585
1-[2-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]ethanone
CID 60628001
2-[(3-chloro-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid;2-[(3-chloro-2-prop-2-enoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 68720996
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
1,2-dichloro-3-phenylbenzene;prop-2-enyl acetate
CID 175275718
[(1Z)-2-chloro-1-(2-chlorophenyl)penta-1,4-dienyl] acetate
CID 53467478
1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one
CID 118830150
prop-2-enyl 2-[(2-chlorophenyl)methylidene]-3-oxobutanoate
CID 70607922
3-chloro-2-(3-methylbut-2-enoxy)benzaldehyde
CID 112611214

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-prop-2-enoxyphenyl)ethanone?
The IUPAC name of 1-(3-chloro-2-prop-2-enoxyphenyl)ethanone (CID 82078008) is 1-(3-chloro-2-prop-2-enoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-2-prop-2-enoxyphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-2-prop-2-enoxyphenyl)ethanone is C=CCOc1c(Cl)cccc1C(C)=O.
What is the InChIKey of 1-(3-chloro-2-prop-2-enoxyphenyl)ethanone?
The InChIKey is MEPLFZOHNNMEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-3-7-14-11-9(8(2)13)5-4-6-10(11)12/h3-6H,1,7H2,2H3.
What are the key properties of 1-(3-chloro-2-prop-2-enoxyphenyl)ethanone?
1-(3-chloro-2-prop-2-enoxyphenyl)ethanone has a molecular weight of 210.66 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-prop-2-enoxyphenyl)ethanone is sourced from PubChem (CID 82078008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).