dibenzofuran;methyl phenyl carbonate

C20H16O4 — CID 158446922

IUPACdibenzofuran;methyl phenyl carbonate
SMILESCOC(=O)Oc1ccccc1.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H8O.C8H8O3/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-10-8(9)11-7-5-3-2-4-6-7/h1-8H;2-6H,1H3
InChIKeyHDMTVJGLQDFWFA-UHFFFAOYSA-N
MW320.34 g/mol
LogP5.42
Rot. Bonds1

About dibenzofuran;methyl phenyl carbonate

dibenzofuran;methyl phenyl carbonate (PubChem CID 158446922) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is dibenzofuran;methyl phenyl carbonate.

Molecular Properties

Compound Namedibenzofuran;methyl phenyl carbonate
PubChem CID158446922
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Namedibenzofuran;methyl phenyl carbonate
SMILESCOC(=O)Oc1ccccc1.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H8O.C8H8O3/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-10-8(9)11-7-5-3-2-4-6-7/h1-8H;2-6H,1H3
InChIKeyHDMTVJGLQDFWFA-UHFFFAOYSA-N
XLogP5.42
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.34
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
methyl (4-phenoxyphenyl) carbonate
CID 19704468
dimethyl carbonate;methanol;methyl phenyl carbonate;phenol
CID 158199044
phenyl (2S)-2-methoxypropanoate
CID 12621314
N-dibenzofuran-3-yl-2-phenoxypropanamide
CID 133234579
(17-methoxycarbonyloxy-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl) acetate
CID 144582492
methyl dibenzofuran-2-carboxylate
CID 3702628
4-O-(4-methoxycarbonyloxyphenyl) 1-O-phenyl cyclohexane-1,4-dicarboxylate
CID 144731542
N-dibenzofuran-3-yl-2-(3-methoxyphenoxy)propanamide
CID 133239850
diphenyl carbonate;ethane;molecular iodine
CID 159087497
phenyl N-[2-(dibenzofuran-3-ylamino)-2-oxoethyl]-N-methylcarbamate
CID 126004369

Frequently Asked Questions

What is the IUPAC name of dibenzofuran;methyl phenyl carbonate?
The IUPAC name of dibenzofuran;methyl phenyl carbonate (CID 158446922) is dibenzofuran;methyl phenyl carbonate.
What is the SMILES notation for dibenzofuran;methyl phenyl carbonate?
The canonical SMILES for dibenzofuran;methyl phenyl carbonate is COC(=O)Oc1ccccc1.c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of dibenzofuran;methyl phenyl carbonate?
The InChIKey is HDMTVJGLQDFWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O.C8H8O3/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-10-8(9)11-7-5-3-2-4-6-7/h1-8H;2-6H,1H3.
What are the key properties of dibenzofuran;methyl phenyl carbonate?
dibenzofuran;methyl phenyl carbonate has a molecular weight of 320.34 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran;methyl phenyl carbonate is sourced from PubChem (CID 158446922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).