[2-(3-formyloxydibenzofuran-2-yl)phenyl] formate

C20H12O5 — CID 156677793

IUPAC[2-(3-formyloxydibenzofuran-2-yl)phenyl] formate
SMILESO=COc1ccccc1-c1cc2c(cc1OC=O)oc1ccccc12
InChIInChI=1S/C20H12O5/c21-11-23-17-7-3-1-5-13(17)15-9-16-14-6-2-4-8-18(14)25-20(16)10-19(15)24-12-22/h1-12H
InChIKeyICXRKVVMRWXQER-UHFFFAOYSA-N
MW332.31 g/mol
LogP4.32
Rot. Bonds5

About [2-(3-formyloxydibenzofuran-2-yl)phenyl] formate

[2-(3-formyloxydibenzofuran-2-yl)phenyl] formate (PubChem CID 156677793) has the molecular formula C20H12O5 and a molecular weight of 332.31 g/mol. Its IUPAC name is [2-(3-formyloxydibenzofuran-2-yl)phenyl] formate.

Molecular Properties

Compound Name[2-(3-formyloxydibenzofuran-2-yl)phenyl] formate
PubChem CID156677793
Molecular FormulaC20H12O5
Molecular Weight332.31 g/mol
Exact Mass332.07
IUPAC Name[2-(3-formyloxydibenzofuran-2-yl)phenyl] formate
SMILESO=COc1ccccc1-c1cc2c(cc1OC=O)oc1ccccc12
InChIInChI=1S/C20H12O5/c21-11-23-17-7-3-1-5-13(17)15-9-16-14-6-2-4-8-18(14)25-20(16)10-19(15)24-12-22/h1-12H
InChIKeyICXRKVVMRWXQER-UHFFFAOYSA-N
XLogP4.32
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate
CID 58130846
2,3-diphenyldibenzofuran
CID 12699263
(2-hydroxydibenzofuran-3-yl) hydrogen carbonate
CID 70402256
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
dibenzofuran;hydrate
CID 70610865
dibenzofuran;hydrofluoride
CID 158307405
16,25-dimethyl-17,24-bis(2-methylphenyl)-5,36-dioxanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15(20),16,18,21(26),22,24,28,30,32,34,37-octadecaene
CID 146383193
3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 155334783
2,3-dihydro-[1]benzofuro[2,3-f]indol-1-one
CID 163894235
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
3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 155335055
2-(2-methylphenyl)dibenzofuran
CID 118188503

Frequently Asked Questions

What is the IUPAC name of [2-(3-formyloxydibenzofuran-2-yl)phenyl] formate?
The IUPAC name of [2-(3-formyloxydibenzofuran-2-yl)phenyl] formate (CID 156677793) is [2-(3-formyloxydibenzofuran-2-yl)phenyl] formate.
What is the SMILES notation for [2-(3-formyloxydibenzofuran-2-yl)phenyl] formate?
The canonical SMILES for [2-(3-formyloxydibenzofuran-2-yl)phenyl] formate is O=COc1ccccc1-c1cc2c(cc1OC=O)oc1ccccc12.
What is the InChIKey of [2-(3-formyloxydibenzofuran-2-yl)phenyl] formate?
The InChIKey is ICXRKVVMRWXQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O5/c21-11-23-17-7-3-1-5-13(17)15-9-16-14-6-2-4-8-18(14)25-20(16)10-19(15)24-12-22/h1-12H.
What are the key properties of [2-(3-formyloxydibenzofuran-2-yl)phenyl] formate?
[2-(3-formyloxydibenzofuran-2-yl)phenyl] formate has a molecular weight of 332.31 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-formyloxydibenzofuran-2-yl)phenyl] formate is sourced from PubChem (CID 156677793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).