1-dibenzofuran-2-yl-1-phenylprop-2-yn-1-ol

C21H14O2 — CID 15539220

IUPAC1-dibenzofuran-2-yl-1-phenylprop-2-yn-1-ol
SMILESC#CC(O)(c1ccccc1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C21H14O2/c1-2-21(22,15-8-4-3-5-9-15)16-12-13-20-18(14-16)17-10-6-7-11-19(17)23-20/h1,3-14,22H
InChIKeyHZXWDSZPEDMROV-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.46
Rot. Bonds2

About 1-dibenzofuran-2-yl-1-phenylprop-2-yn-1-ol

1-dibenzofuran-2-yl-1-phenylprop-2-yn-1-ol (PubChem CID 15539220) has the molecular formula C21H14O2 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-dibenzofuran-2-yl-1-phenylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-dibenzofuran-2-yl-1-phenylprop-2-yn-1-ol
PubChem CID15539220
Molecular FormulaC21H14O2
Molecular Weight298.34 g/mol
Exact Mass298.10
IUPAC Name1-dibenzofuran-2-yl-1-phenylprop-2-yn-1-ol
SMILESC#CC(O)(c1ccccc1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C21H14O2/c1-2-21(22,15-8-4-3-5-9-15)16-12-13-20-18(14-16)17-10-6-7-11-19(17)23-20/h1,3-14,22H
InChIKeyHZXWDSZPEDMROV-UHFFFAOYSA-N
XLogP4.46
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-dibenzofuran-2-yl-1-phenylprop-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dibenzofuran-2-yl-2-hydroxypropanoic acid
CID 163411383
3-dibenzofuran-2-yl-3-methylbutan-1-ol
CID 79838391
5-[1-hydroxy-1-(2-methoxyphenyl)prop-2-ynyl]-1-benzofuran-2,3-diol
CID 139707387
dibenzofuran;molecular hydrogen
CID 173065186
2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
CID 144568487
2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran
CID 134486680
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
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
2,8-ditert-butyldibenzofuran
CID 14914466
diethyl 2-dibenzofuran-2-yl-2-methylpropanedioate
CID 163791926
dibenzofuran-2-amine
CID 19405

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-yl-1-phenylprop-2-yn-1-ol?
The IUPAC name of 1-dibenzofuran-2-yl-1-phenylprop-2-yn-1-ol (CID 15539220) is 1-dibenzofuran-2-yl-1-phenylprop-2-yn-1-ol.
What is the SMILES notation for 1-dibenzofuran-2-yl-1-phenylprop-2-yn-1-ol?
The canonical SMILES for 1-dibenzofuran-2-yl-1-phenylprop-2-yn-1-ol is C#CC(O)(c1ccccc1)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 1-dibenzofuran-2-yl-1-phenylprop-2-yn-1-ol?
The InChIKey is HZXWDSZPEDMROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O2/c1-2-21(22,15-8-4-3-5-9-15)16-12-13-20-18(14-16)17-10-6-7-11-19(17)23-20/h1,3-14,22H.
What are the key properties of 1-dibenzofuran-2-yl-1-phenylprop-2-yn-1-ol?
1-dibenzofuran-2-yl-1-phenylprop-2-yn-1-ol has a molecular weight of 298.34 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-yl-1-phenylprop-2-yn-1-ol is sourced from PubChem (CID 15539220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).