1-(4-chlorophenyl)-2-hydroxyethanone

C8H7ClO2 — CID 587085

IUPAC1-(4-chlorophenyl)-2-hydroxyethanone
SMILESO=C(CO)c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,10H,5H2
InChIKeyDMDCUPKBRHFLKH-UHFFFAOYSA-N
MW170.59 g/mol
LogP1.51
Rot. Bonds2

About 1-(4-chlorophenyl)-2-hydroxyethanone

1-(4-chlorophenyl)-2-hydroxyethanone (PubChem CID 587085) has the molecular formula C8H7ClO2 and a molecular weight of 170.59 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-hydroxyethanone
PubChem CID587085
Molecular FormulaC8H7ClO2
Molecular Weight170.59 g/mol
Exact Mass170.01
IUPAC Name1-(4-chlorophenyl)-2-hydroxyethanone
SMILESO=C(CO)c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,10H,5H2
InChIKeyDMDCUPKBRHFLKH-UHFFFAOYSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.59
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-hydroxyethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-hydroxyethanone (CID 587085) is 1-(4-chlorophenyl)-2-hydroxyethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-hydroxyethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-hydroxyethanone is O=C(CO)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-hydroxyethanone?
The InChIKey is DMDCUPKBRHFLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,10H,5H2.
What are the key properties of 1-(4-chlorophenyl)-2-hydroxyethanone?
1-(4-chlorophenyl)-2-hydroxyethanone has a molecular weight of 170.59 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-hydroxyethanone is sourced from PubChem (CID 587085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).