2,3-dichloro-4H-naphthalen-1-one

C10H6Cl2O — CID 123154682

IUPAC2,3-dichloro-4H-naphthalen-1-one
SMILESO=C1C(Cl)=C(Cl)Cc2ccccc21
InChIInChI=1S/C10H6Cl2O/c11-8-5-6-3-1-2-4-7(6)10(13)9(8)12/h1-4H,5H2
InChIKeyRGEHOTMWMYXZBR-UHFFFAOYSA-N
MW213.06 g/mol
LogP3.11
Rot. Bonds

About 2,3-dichloro-4H-naphthalen-1-one

2,3-dichloro-4H-naphthalen-1-one (PubChem CID 123154682) has the molecular formula C10H6Cl2O and a molecular weight of 213.06 g/mol. Its IUPAC name is 2,3-dichloro-4H-naphthalen-1-one.

Molecular Properties

Compound Name2,3-dichloro-4H-naphthalen-1-one
PubChem CID123154682
Molecular FormulaC10H6Cl2O
Molecular Weight213.06 g/mol
Exact Mass211.98
IUPAC Name2,3-dichloro-4H-naphthalen-1-one
SMILESO=C1C(Cl)=C(Cl)Cc2ccccc21
InChIInChI=1S/C10H6Cl2O/c11-8-5-6-3-1-2-4-7(6)10(13)9(8)12/h1-4H,5H2
InChIKeyRGEHOTMWMYXZBR-UHFFFAOYSA-N
XLogP3.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.06
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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10H-anthracen-9-one;ethane;methanol
CID 90976205
2-chloro-3-[4-(4-chlorophenyl)cyclohexyl]-4H-naphthalen-1-one
CID 90700809
(E)-3-(3-chloro-4-oxo-1H-naphthalen-2-yl)-2-methylprop-2-enoic acid
CID 71022612
(2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one
CID 2305460
(2E)-2-(aminomethylidene)-3H-inden-1-one
CID 3037167
2-ethylidene-3H-inden-1-one
CID 58198195
9H-fluorene;oxozirconium
CID 174355249
9H-fluorene;oxophosphane
CID 174601741
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione
CID 13190621

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4H-naphthalen-1-one?
The IUPAC name of 2,3-dichloro-4H-naphthalen-1-one (CID 123154682) is 2,3-dichloro-4H-naphthalen-1-one.
What is the SMILES notation for 2,3-dichloro-4H-naphthalen-1-one?
The canonical SMILES for 2,3-dichloro-4H-naphthalen-1-one is O=C1C(Cl)=C(Cl)Cc2ccccc21.
What is the InChIKey of 2,3-dichloro-4H-naphthalen-1-one?
The InChIKey is RGEHOTMWMYXZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2O/c11-8-5-6-3-1-2-4-7(6)10(13)9(8)12/h1-4H,5H2.
What are the key properties of 2,3-dichloro-4H-naphthalen-1-one?
2,3-dichloro-4H-naphthalen-1-one has a molecular weight of 213.06 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4H-naphthalen-1-one is sourced from PubChem (CID 123154682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).