2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone

C12H9ClO2 — CID 131852255

IUPAC2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone
SMILESO=C(CCl)c1cc(O)c2ccccc2c1
InChIInChI=1S/C12H9ClO2/c13-7-12(15)9-5-8-3-1-2-4-10(8)11(14)6-9/h1-6,14H,7H2
InChIKeyYRHMZODXMXPDLJ-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.97
Rot. Bonds2

About 2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone

2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone (PubChem CID 131852255) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone
PubChem CID131852255
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Name2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone
SMILESO=C(CCl)c1cc(O)c2ccccc2c1
InChIInChI=1S/C12H9ClO2/c13-7-12(15)9-5-8-3-1-2-4-10(8)11(14)6-9/h1-6,14H,7H2
InChIKeyYRHMZODXMXPDLJ-UHFFFAOYSA-N
XLogP2.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone?
The IUPAC name of 2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone (CID 131852255) is 2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone?
The canonical SMILES for 2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone is O=C(CCl)c1cc(O)c2ccccc2c1.
What is the InChIKey of 2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone?
The InChIKey is YRHMZODXMXPDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c13-7-12(15)9-5-8-3-1-2-4-10(8)11(14)6-9/h1-6,14H,7H2.
What are the key properties of 2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone?
2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone has a molecular weight of 220.66 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone is sourced from PubChem (CID 131852255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).