1-(4-chloro-2-prop-1-enylphenyl)ethanone

C11H11ClO — CID 77442507

IUPAC1-(4-chloro-2-prop-1-enylphenyl)ethanone
SMILESCC=Cc1cc(Cl)ccc1C(C)=O
InChIInChI=1S/C11H11ClO/c1-3-4-9-7-10(12)5-6-11(9)8(2)13/h3-7H,1-2H3
InChIKeyMHYAFAAZNGNSBF-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.58
Rot. Bonds2

About 1-(4-chloro-2-prop-1-enylphenyl)ethanone

1-(4-chloro-2-prop-1-enylphenyl)ethanone (PubChem CID 77442507) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 1-(4-chloro-2-prop-1-enylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2-prop-1-enylphenyl)ethanone
PubChem CID77442507
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name1-(4-chloro-2-prop-1-enylphenyl)ethanone
SMILESCC=Cc1cc(Cl)ccc1C(C)=O
InChIInChI=1S/C11H11ClO/c1-3-4-9-7-10(12)5-6-11(9)8(2)13/h3-7H,1-2H3
InChIKeyMHYAFAAZNGNSBF-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-prop-1-enylphenyl)ethanone?
The IUPAC name of 1-(4-chloro-2-prop-1-enylphenyl)ethanone (CID 77442507) is 1-(4-chloro-2-prop-1-enylphenyl)ethanone.
What is the SMILES notation for 1-(4-chloro-2-prop-1-enylphenyl)ethanone?
The canonical SMILES for 1-(4-chloro-2-prop-1-enylphenyl)ethanone is CC=Cc1cc(Cl)ccc1C(C)=O.
What is the InChIKey of 1-(4-chloro-2-prop-1-enylphenyl)ethanone?
The InChIKey is MHYAFAAZNGNSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c1-3-4-9-7-10(12)5-6-11(9)8(2)13/h3-7H,1-2H3.
What are the key properties of 1-(4-chloro-2-prop-1-enylphenyl)ethanone?
1-(4-chloro-2-prop-1-enylphenyl)ethanone has a molecular weight of 194.66 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-prop-1-enylphenyl)ethanone is sourced from PubChem (CID 77442507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).