3-(4-dibenzofuran-4-ylanilino)propane-1,2-diol

C21H19NO3 — CID 168594739

IUPAC3-(4-dibenzofuran-4-ylanilino)propane-1,2-diol
SMILESOCC(O)CNc1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C21H19NO3/c23-13-16(24)12-22-15-10-8-14(9-11-15)17-5-3-6-19-18-4-1-2-7-20(18)25-21(17)19/h1-11,16,22-24H,12-13H2
InChIKeyOSZASNGYEUIRSN-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.02
Rot. Bonds5

About 3-(4-dibenzofuran-4-ylanilino)propane-1,2-diol

3-(4-dibenzofuran-4-ylanilino)propane-1,2-diol (PubChem CID 168594739) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(4-dibenzofuran-4-ylanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(4-dibenzofuran-4-ylanilino)propane-1,2-diol
PubChem CID168594739
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name3-(4-dibenzofuran-4-ylanilino)propane-1,2-diol
SMILESOCC(O)CNc1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C21H19NO3/c23-13-16(24)12-22-15-10-8-14(9-11-15)17-5-3-6-19-18-4-1-2-7-20(18)25-21(17)19/h1-11,16,22-24H,12-13H2
InChIKeyOSZASNGYEUIRSN-UHFFFAOYSA-N
XLogP4.02
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)dibenzofuran
CID 59022098
(4-dibenzofuran-4-ylphenyl)methanamine
CID 67186774
4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran
CID 138462036
4-(4-dibenzofuran-4-ylphenyl)aniline
CID 58510844
N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline
CID 139544912
4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]dibenzofuran
CID 67963999
4-[4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136660
4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59137016
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 155374295
CID 174029907
CID 174029907
4-(4-propylphenyl)dibenzofuran
CID 156827246
2-amino-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid
CID 11453801

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-4-ylanilino)propane-1,2-diol?
The IUPAC name of 3-(4-dibenzofuran-4-ylanilino)propane-1,2-diol (CID 168594739) is 3-(4-dibenzofuran-4-ylanilino)propane-1,2-diol.
What is the SMILES notation for 3-(4-dibenzofuran-4-ylanilino)propane-1,2-diol?
The canonical SMILES for 3-(4-dibenzofuran-4-ylanilino)propane-1,2-diol is OCC(O)CNc1ccc(-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 3-(4-dibenzofuran-4-ylanilino)propane-1,2-diol?
The InChIKey is OSZASNGYEUIRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-13-16(24)12-22-15-10-8-14(9-11-15)17-5-3-6-19-18-4-1-2-7-20(18)25-21(17)19/h1-11,16,22-24H,12-13H2.
What are the key properties of 3-(4-dibenzofuran-4-ylanilino)propane-1,2-diol?
3-(4-dibenzofuran-4-ylanilino)propane-1,2-diol has a molecular weight of 333.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-4-ylanilino)propane-1,2-diol is sourced from PubChem (CID 168594739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).