2H-dibenzofuran-3-one;dihydrochloride

C12H10Cl2O2 — CID 160827509

IUPAC2H-dibenzofuran-3-one;dihydrochloride
SMILESCl.Cl.O=C1C=c2oc3ccccc3c2=CC1
InChIInChI=1S/C12H8O2.2ClH/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8;;/h1-4,6-7H,5H2;2*1H
InChIKeySGJKPHFYNRWTHB-UHFFFAOYSA-N
MW257.12 g/mol
LogP1.81
Rot. Bonds

About 2H-dibenzofuran-3-one;dihydrochloride

2H-dibenzofuran-3-one;dihydrochloride (PubChem CID 160827509) has the molecular formula C12H10Cl2O2 and a molecular weight of 257.12 g/mol. Its IUPAC name is 2H-dibenzofuran-3-one;dihydrochloride.

Molecular Properties

Compound Name2H-dibenzofuran-3-one;dihydrochloride
PubChem CID160827509
Molecular FormulaC12H10Cl2O2
Molecular Weight257.12 g/mol
Exact Mass256.01
IUPAC Name2H-dibenzofuran-3-one;dihydrochloride
SMILESCl.Cl.O=C1C=c2oc3ccccc3c2=CC1
InChIInChI=1S/C12H8O2.2ClH/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8;;/h1-4,6-7H,5H2;2*1H
InChIKeySGJKPHFYNRWTHB-UHFFFAOYSA-N
XLogP1.81
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydrodibenzofuran
CID 58536247
2,3-dihydroxanthen-9-one
CID 144768115
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
2-methyl-3H-dibenzofuran-2-amine
CID 166919282
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
1-(2-chloro-1-benzofuran-3-yl)cyclopropan-1-amine
CID 84779956
dibenzofuran;molecular hydrogen
CID 173065186
4-hydroxy-3-sulfanylchromen-2-one
CID 54676635
propane;xanthen-9-one
CID 90876458
2-(hydroxymethyl)chromen-4-one
CID 12536095

Frequently Asked Questions

What is the IUPAC name of 2H-dibenzofuran-3-one;dihydrochloride?
The IUPAC name of 2H-dibenzofuran-3-one;dihydrochloride (CID 160827509) is 2H-dibenzofuran-3-one;dihydrochloride.
What is the SMILES notation for 2H-dibenzofuran-3-one;dihydrochloride?
The canonical SMILES for 2H-dibenzofuran-3-one;dihydrochloride is Cl.Cl.O=C1C=c2oc3ccccc3c2=CC1.
What is the InChIKey of 2H-dibenzofuran-3-one;dihydrochloride?
The InChIKey is SGJKPHFYNRWTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2.2ClH/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8;;/h1-4,6-7H,5H2;2*1H.
What are the key properties of 2H-dibenzofuran-3-one;dihydrochloride?
2H-dibenzofuran-3-one;dihydrochloride has a molecular weight of 257.12 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-dibenzofuran-3-one;dihydrochloride is sourced from PubChem (CID 160827509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).