dibenzofuran;dihydrate;dihydrochloride

C12H14Cl2O3 — CID 21327105

IUPACdibenzofuran;dihydrate;dihydrochloride
SMILESCl.Cl.O.O.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H8O.2ClH.2H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;/h1-8H;2*1H;2*1H2
InChIKeySWOWOQSPDCWTHJ-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.78
Rot. Bonds

About dibenzofuran;dihydrate;dihydrochloride

dibenzofuran;dihydrate;dihydrochloride (PubChem CID 21327105) has the molecular formula C12H14Cl2O3 and a molecular weight of 277.15 g/mol. Its IUPAC name is dibenzofuran;dihydrate;dihydrochloride.

Molecular Properties

Compound Namedibenzofuran;dihydrate;dihydrochloride
PubChem CID21327105
Molecular FormulaC12H14Cl2O3
Molecular Weight277.15 g/mol
Exact Mass276.03
IUPAC Namedibenzofuran;dihydrate;dihydrochloride
SMILESCl.Cl.O.O.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H8O.2ClH.2H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;/h1-8H;2*1H;2*1H2
InChIKeySWOWOQSPDCWTHJ-UHFFFAOYSA-N
XLogP2.78
TPSA76.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

dibenzofuran;hydrate
CID 70610865
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;molecular hydrogen
CID 173065186
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
2-deuteriodibenzofuran
CID 90735776
dibenzofuran;ethanol
CID 174821059
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
dibenzofuran-2-amine
CID 19405
2,3-diphenyldibenzofuran
CID 12699263
methylidene(xanthen-9-ylidene)-λ4-sulfane
CID 101030051
1-dibenzofuran-2-ylethanamine;hydrochloride
CID 13012128
dibenzofuran;1,3-oxazole
CID 157355196

Frequently Asked Questions

What is the IUPAC name of dibenzofuran;dihydrate;dihydrochloride?
The IUPAC name of dibenzofuran;dihydrate;dihydrochloride (CID 21327105) is dibenzofuran;dihydrate;dihydrochloride.
What is the SMILES notation for dibenzofuran;dihydrate;dihydrochloride?
The canonical SMILES for dibenzofuran;dihydrate;dihydrochloride is Cl.Cl.O.O.c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of dibenzofuran;dihydrate;dihydrochloride?
The InChIKey is SWOWOQSPDCWTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O.2ClH.2H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;;/h1-8H;2*1H;2*1H2.
What are the key properties of dibenzofuran;dihydrate;dihydrochloride?
dibenzofuran;dihydrate;dihydrochloride has a molecular weight of 277.15 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran;dihydrate;dihydrochloride is sourced from PubChem (CID 21327105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).