2-chloro-5-hydroxynaphthalene-1,4-dione

C10H5ClO3 — CID 10353030

IUPAC2-chloro-5-hydroxynaphthalene-1,4-dione
SMILESO=C1C(Cl)=CC(=O)c2c(O)cccc21
InChIInChI=1S/C10H5ClO3/c11-6-4-8(13)9-5(10(6)14)2-1-3-7(9)12/h1-4,12H
InChIKeyRQXXHTMPEKGZQM-UHFFFAOYSA-N
MW208.60 g/mol
LogP1.89
Rot. Bonds

About 2-chloro-5-hydroxynaphthalene-1,4-dione

2-chloro-5-hydroxynaphthalene-1,4-dione (PubChem CID 10353030) has the molecular formula C10H5ClO3 and a molecular weight of 208.60 g/mol. Its IUPAC name is 2-chloro-5-hydroxynaphthalene-1,4-dione.

Molecular Properties

Compound Name2-chloro-5-hydroxynaphthalene-1,4-dione
PubChem CID10353030
Molecular FormulaC10H5ClO3
Molecular Weight208.60 g/mol
Exact Mass207.99
IUPAC Name2-chloro-5-hydroxynaphthalene-1,4-dione
SMILESO=C1C(Cl)=CC(=O)c2c(O)cccc21
InChIInChI=1S/C10H5ClO3/c11-6-4-8(13)9-5(10(6)14)2-1-3-7(9)12/h1-4,12H
InChIKeyRQXXHTMPEKGZQM-UHFFFAOYSA-N
XLogP1.89
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.60
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxynaphthalene-1,4-dione?
The IUPAC name of 2-chloro-5-hydroxynaphthalene-1,4-dione (CID 10353030) is 2-chloro-5-hydroxynaphthalene-1,4-dione.
What is the SMILES notation for 2-chloro-5-hydroxynaphthalene-1,4-dione?
The canonical SMILES for 2-chloro-5-hydroxynaphthalene-1,4-dione is O=C1C(Cl)=CC(=O)c2c(O)cccc21.
What is the InChIKey of 2-chloro-5-hydroxynaphthalene-1,4-dione?
The InChIKey is RQXXHTMPEKGZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClO3/c11-6-4-8(13)9-5(10(6)14)2-1-3-7(9)12/h1-4,12H.
What are the key properties of 2-chloro-5-hydroxynaphthalene-1,4-dione?
2-chloro-5-hydroxynaphthalene-1,4-dione has a molecular weight of 208.60 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxynaphthalene-1,4-dione is sourced from PubChem (CID 10353030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).