1-(6-chloro-2-hydroxynaphthalen-1-yl)ethanone

C12H9ClO2 — CID 84686255

IUPAC1-(6-chloro-2-hydroxynaphthalen-1-yl)ethanone
SMILESCC(=O)c1c(O)ccc2cc(Cl)ccc12
InChIInChI=1S/C12H9ClO2/c1-7(14)12-10-4-3-9(13)6-8(10)2-5-11(12)15/h2-6,15H,1H3
InChIKeyFCAUKTZHOWVWGC-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.40
Rot. Bonds1

About 1-(6-chloro-2-hydroxynaphthalen-1-yl)ethanone

1-(6-chloro-2-hydroxynaphthalen-1-yl)ethanone (PubChem CID 84686255) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is 1-(6-chloro-2-hydroxynaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-chloro-2-hydroxynaphthalen-1-yl)ethanone
PubChem CID84686255
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Name1-(6-chloro-2-hydroxynaphthalen-1-yl)ethanone
SMILESCC(=O)c1c(O)ccc2cc(Cl)ccc12
InChIInChI=1S/C12H9ClO2/c1-7(14)12-10-4-3-9(13)6-8(10)2-5-11(12)15/h2-6,15H,1H3
InChIKeyFCAUKTZHOWVWGC-UHFFFAOYSA-N
XLogP3.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-hydroxynaphthalen-1-yl)ethanone?
The IUPAC name of 1-(6-chloro-2-hydroxynaphthalen-1-yl)ethanone (CID 84686255) is 1-(6-chloro-2-hydroxynaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(6-chloro-2-hydroxynaphthalen-1-yl)ethanone?
The canonical SMILES for 1-(6-chloro-2-hydroxynaphthalen-1-yl)ethanone is CC(=O)c1c(O)ccc2cc(Cl)ccc12.
What is the InChIKey of 1-(6-chloro-2-hydroxynaphthalen-1-yl)ethanone?
The InChIKey is FCAUKTZHOWVWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c1-7(14)12-10-4-3-9(13)6-8(10)2-5-11(12)15/h2-6,15H,1H3.
What are the key properties of 1-(6-chloro-2-hydroxynaphthalen-1-yl)ethanone?
1-(6-chloro-2-hydroxynaphthalen-1-yl)ethanone has a molecular weight of 220.66 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-hydroxynaphthalen-1-yl)ethanone is sourced from PubChem (CID 84686255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).