1-(3-chlorophenyl)ethanone

C8H7ClO — CID 14933

IUPAC1-(3-chlorophenyl)ethanone
SMILESCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C8H7ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
InChIKeyUUWJBXKHMMQDED-UHFFFAOYSA-N
MW154.60 g/mol
LogP2.54
Rot. Bonds1

About 1-(3-chlorophenyl)ethanone

1-(3-chlorophenyl)ethanone (PubChem CID 14933) has the molecular formula C8H7ClO and a molecular weight of 154.60 g/mol. Its IUPAC name is 1-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)ethanone
PubChem CID14933
Molecular FormulaC8H7ClO
Molecular Weight154.60 g/mol
Exact Mass154.02
IUPAC Name1-(3-chlorophenyl)ethanone
SMILESCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C8H7ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
InChIKeyUUWJBXKHMMQDED-UHFFFAOYSA-N
XLogP2.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)ethanone?
The IUPAC name of 1-(3-chlorophenyl)ethanone (CID 14933) is 1-(3-chlorophenyl)ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)ethanone?
The canonical SMILES for 1-(3-chlorophenyl)ethanone is CC(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)ethanone?
The InChIKey is UUWJBXKHMMQDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3.
What are the key properties of 1-(3-chlorophenyl)ethanone?
1-(3-chlorophenyl)ethanone has a molecular weight of 154.60 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)ethanone is sourced from PubChem (CID 14933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).